Cyclopropane, octyl-
PubChem CID
524687
Structure
Molecular Formula
Synonyms
- Cyclopropane, octyl-
- Octylcyclopropane
- 1472-09-9
- Octane, 1-cyclopropyl-
- n-octyl-cyclopropane
Molecular Weight
154.29 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Description
Cyclopropane, octyl- has been reported in Persicaria hydropiperoides and Persicaria minor with data available.
Chemical Structure Depiction
octylcyclopropane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H22/c1-2-3-4-5-6-7-8-11-9-10-11/h11H,2-10H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
VFWTZFZJUAJMJB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCCC1CC1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H22
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1472-09-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
154.29 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
5.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
154.172150702 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
154.172150702 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
82
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
0
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)
Semi-standard non-polar
1115.7 , 1075
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- EPA DSSToxCyclopropane, octyl-https://comptox.epa.gov/dashboard/DTXSID80335342
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Cyclopropane, octyl-https://www.wikidata.org/wiki/Q82101655LOTUS Treehttps://lotus.naturalproducts.net/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawCyclopropane, octyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCYCLOPROPANE, OCTYL-https://spectrabase.com/spectrum/HMtlUOKSlDqCyclopropane, octyl-https://spectrabase.com/spectrum/Khopb1Pqaop1,2-epoxydecanehttps://spectrabase.com/spectrum/J9QsF00sdSwOctyl-cyclopropanehttps://spectrabase.com/spectrum/6ncM4KF1mSL
- Springer Nature
- WikidataCyclopropane, octyl-https://www.wikidata.org/wiki/Q82101655
- PubChem
- 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/
CONTENTS