Structure database (LMSD)

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LM IDLMFA01140041
Common NameCyclopentanetridecanoic acid
Systematic Name13-Cyclopentyltridecanoic acid
Synonyms-
Exact Mass
282.2559 (neutral)    Calculate m/z:
FormulaC18H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID15820840
PlantFA ID10797
InChIKeyGPWJVXHWELIFNF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-
16H2,(H,19,20)
SMILESC(CCCCCCCCCCCCC1CCCC1)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
322.54Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.94Molar
Refractivity
85.00