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Molecule
ID:110236
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₄H₄₄O₂
Molecular Mass
364.60496
Exact Mass
364.33413065
Charge
0
InChI
InChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h9-10,23H,2-8,11-22H2,1H3
InChIKey
QCVAKNDTJPGTAD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OC1CCCCC1
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OC1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.728963
LogD (pH = 7.4)
8.728963
Log P
8.728963
Molar Refractivity
113.1855
Polarizability
44.7633
Polar Surface Area
26.3
Rotatable Bonds
17
Lipinski's Rule of Five
false
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Data Source
Academic Data
PubChem
12739679
Commercial Catalog
MP Biomedicals
05214206
Names and Identifiers
Synonyms
CYCLOHEXYL OLEATE
IUPAC name
cyclohexyl octadec-9-enoate
IUPAC Traditional name
cyclohexyl octadec-9-enoate
Registration numbers
PubChem CID
12739679
PubChem SID
162106368
Properties
Safety Information
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Molecule Details
MP Biomedicals
05214206
MP Biomedicals Rare Chemical collection
References
PubChem Literature
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Bioactivity
PubChem BioAssay