Structure database (LMSD)

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LM IDLMFA01140037
Common Name7R,8S-methylenehexanoic acid
Systematic Name7R,8S-methylenehexanoic acid
Synonyms6-[(1R,2S)-2-octylcyclopropyl]hexanoic acid; Cyclopropanehexanoic acid, 2-
octyl-, (1R,2S)-rel-; 7,8-Methylenehexadecanoic acid
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID101946923
PlantFA ID10315
InChIKeyFMVHABNRCKPNEA-JKSUJKDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-8-11-15-14-16(15)12-9-7-10-13-17(18)19/h15-16H,2-
14H2,1H3,(H,18,19)/t15-,16+/m0/s1
SMILESC(O)(=O)CCCCC[C@@H]1C[C@@H]1CCCCCCCC
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