Structure database (LMSD)

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LM IDLMFA01140039
Common Name2-Cyclopentene-1-pentadec-9c-enoic acid
Systematic Name15-(2-cyclopenten-1-yl)-9Z-Pentadecenoic acid
Synonyms9-Pentadecenoic acid, 15-(2-cyclopenten-1-yl)-, (Z)-
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID131839792
PlantFA ID10577
InChIKeyGFPRKNCSMMGSNS-IWQZZHSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)/b3-1-
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SMILES
C(O)(=O)CCCCCCC/C=C\CCCCCC1CCC=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
351.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.27Molar
Refractivity
94.04