Structure database (LMSD)

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LM IDLMFA01140050
Common Name9,10-Methylenehexadecanoic acid
Systematic Name9,10-Methylenehexadecanoic acid
SynonymsCyclopropaneoctanoic acid, 2-hexyl-; 2-Hexylcyclopropaneoctanoic acid;
Hexadecanoic acid, 9,10-methylene-
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID160786
PlantFA ID10776
InChIKeyMUZYOAHCGSIXJH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-
14H2,1H3,(H,18,19)
SMILESC(CCCCCCCC1CC1CCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
305.24Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.41Molar
Refractivity
80.31