Structure database (LMSD)

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LM IDLMFA01140044
Common Name6,7-methylene-pentadecanoic acid
Systematic Name6,7-methylene-pentadecanoic acid
Synonyms2-Octylcyclopropanepentanoic acid
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID85685917
PlantFA ID10316
InChIKeyYPMKDOYCNARBES-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-10-14-13-15(14)11-8-9-12-16(17)18/h14-15H,2-13H
2,1H3,(H,17,18)
SMILESC1(CCCCC(O)=O)CC1CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
287.94Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.02Molar
Refractivity
75.69