(+)-cis-Chrysanthemic acid
PubChem CID
33606
Structure
Molecular Formula
Synonyms
- (+)-cis-chrysanthemic acid
- cis-(+)-Chrysanthemic acid
- (1R)-cis-Chrysanthemic acid
- 2935-23-1
- (1R,3S)-Chrysanthemic acid
Molecular Weight
168.23 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-25
Description
(+)-cis-chrysanthemic acid is a cis-chrysanthemic acid. It is an enantiomer of a (-)-cis-chrysanthemic acid.
See also: (-)-cis-Chrysanthemic acid (annotation moved to).
Chemical Structure Depiction
(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XLOPRKKSAJMMEW-YUMQZZPRSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H16O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
2935-23-1
15259-78-6, 23453-12-5
182966-03-6
- (+)-cis-chrysanthemic acid
- cis-(+)-Chrysanthemic acid
- (1R)-cis-Chrysanthemic acid
- 2935-23-1
- (1R,3S)-Chrysanthemic acid
- (+)-cis-Chrysanthemumic acid
- 26771-11-9
- (+)-cis-Chrysanthemumsaeure
- Chrysanthemic acid dl-cis-form
- Chrysanthemic acid, cis-(+)-
- 15259-78-6
- cis-(+/-)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
- (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
- 1J3B3RQ0Q8
- 5P7V8620AM
- (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid
- (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
- (1R-cis)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3S)-
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3S)-rel-
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-rel-
- 4-09-00-00168 (Beilstein Handbook Reference)
- UNII-1J3B3RQ0Q8
- UNII-5P7V8620AM
- EINECS 220-908-2
- EINECS 247-996-5
- BRN 2043420
- (+)-cis chrysanthemic acid
- SCHEMBL2355177
- CHEBI:39104
- CHRYSANTHEMIC ACID D-CIS-FORM
- AKOS037647342
- (+/-)-CIS-CHRYSANTHEMIC ACID
- LMPR0102060002
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R-cis)-
- AS-73377
- CHRYSANTHEMIC ACID, CIS-(+/-)-
- CHRYSANTHEMIC ACID DL-CIS-FORM [MI]
- NS00084315
- Q27118139
- cis-(1)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylicacid
- (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylic acid
- CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYLPROPENYL)-, (1R,3S)-(+)-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
168.23 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
3.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
168.115029749 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
168.115029749 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
37.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
234
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
(-)-cis-Chrysanthemic acid (annotation moved to)
EPA TSCA Commercial Activity Status
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-rel-: INACTIVE
EPA TSCA Commercial Activity Status
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XLOPRKKSAJMMEW-YUMQZZPRSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/(1R,3S)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic acidhttps://commonchemistry.cas.org/detail?cas_rn=26771-11-9
- ChemIDplusChrysanthemic acid dl-cis-formhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0002935231(+)-cis-Chrysanthemumic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0026771119ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCACyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-rel-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice(1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acidhttps://echa.europa.eu/substance-information/-/substanceinfo/100.043.618cis-(±)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acidhttps://echa.europa.eu/substance-information/-/substanceinfo/100.019.008
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingCHRYSANTHEMIC ACID, CIS-(+)-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5P7V8620AMCHRYSANTHEMIC ACID, CIS-(±)-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1J3B3RQ0Q8
- ChEBI(+)-cis-chrysanthemic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39104
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPS(+)-cis-chrysanthemic acidhttps://lipidmaps.org/databases/lmsd/LMPR0102060002Lipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench(+)-cis-chrysanthemic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28032
- SpectraBaseCIS-CHRYSANTHEMINIC-ACIDhttps://spectrabase.com/spectrum/FQjqztvWs6H(CIS)-NO-NAMEhttps://spectrabase.com/spectrum/7NfTA3BxcfQ
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata(+)-cis-chrysanthemic acidhttps://www.wikidata.org/wiki/Q27118139
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 396263019https://pubchem.ncbi.nlm.nih.gov/substance/396263019
CONTENTS