Structure database (LMSD)

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LM IDLMFA01140051
Common Name2-hydroxy-8-(2-octylcycloprop-1-en-1-yl)octanoic acid;
Systematic Name2-hydroxy-8-(2-octylcycloprop-1-en-1-yl)octanoic acid;
Synonyms2-Hydroxy-8-(2-octyl-1-cyclopropenyl)-octanoic acid; 2-Hydroxy-8-(2-octyl-1-
cyclopropenyl)-octanoic acid; α-Hydroxy-2-octyl-1-cyclopropene-1-octanoic
acid; D-2-hydroxy-8-(2-octyl-1-cyclopropenyl)-octanoic acid
Exact Mass
310.2508 (neutral)    Calculate m/z:
FormulaC19H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID131751126
HMDB IDHMDB0031060
PlantFA ID10234
InChIKeyNIMPMJIXSJYVEO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H34O3/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(20)19(21)22/h
18,20H,2-15H2,1H3,(H,21,22)
SMILESC(O)(=O)C(O)CCCCCCC1CC=1CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
345.99Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.51Molar
Refractivity
91.49