Structure database (LMSD)

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LM IDLMFA01140049
Common Name8,9-Methylene-octadecanoic acid
Systematic Name8,9-Methylene-octadecanoic acid
Synonyms2-Nonylcyclopropaneheptanoic acid
Exact Mass
296.2715 (neutral)    Calculate m/z:
FormulaC19H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID131839797
PlantFA ID10224
InChIKeyMGPDYNWGYUWLEE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h17-
18H,2-16H2,1H3,(H,20,21)
SMILESC1(CCCCCCC(O)=O)CC1CCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
339.84Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.19Molar
Refractivity
89.54