Benzoic acid, 4-(10-undecenyloxy)-
PubChem CID
3713710
Structure
Molecular Formula
Synonyms
- 59100-95-7
- Benzoic acid, 4-(10-undecenyloxy)-
- 4-undec-10-enoxybenzoic Acid
- 4-(UNDEC-10-EN-1-YLOXY)BENZOIC ACID
- 4-(10-undecenyloxy)benzenecarboxylic acid
Molecular Weight
290.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-09-10
- Modify:2024-12-28
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
4-undec-10-enoxybenzoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h2,11-14H,1,3-10,15H2,(H,19,20)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
AWUMMWYGOIPYOJ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C=CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C18H26O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
59100-95-7
- 59100-95-7
- Benzoic acid, 4-(10-undecenyloxy)-
- 4-undec-10-enoxybenzoic Acid
- 4-(UNDEC-10-EN-1-YLOXY)BENZOIC ACID
- 4-(10-undecenyloxy)benzenecarboxylic acid
- DTXSID90395396
- SCHEMBL2622416
- CHEMBL3273808
- p-(10-undecenyl)oxybenzoic acid
- DTXCID20346255
- AWUMMWYGOIPYOJ-UHFFFAOYSA-N
- 4-(10-unde-cenyloxy) benzoic acid
- MFCD01568861
- AKOS005080904
- 4-(UNDEC-10-EN-1-YLOXY)BENZOICACID
- 12N-112
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
6.1
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
290.18819469 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
290.18819469 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
46.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
280
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)
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 Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AWUMMWYGOIPYOJ-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- EPA DSSToxBenzoic acid, 4-(10-undecenyloxy)-https://comptox.epa.gov/dashboard/DTXSID90395396
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- The Cambridge Structural Database
- WikidataBenzoic acid, 4-(10-undecenyloxy)-https://www.wikidata.org/wiki/Q82195476
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388910992https://pubchem.ncbi.nlm.nih.gov/substance/388910992
CONTENTS