Structure database (LMSD)

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LM IDLMFA01140047
Common Name5,6-methylene-tridecanoic acid
Systematic Name5,6-methylene-tridecanoic acid
Synonyms2-Heptylcyclopropanebutanoic acid
Exact Mass
226.1933 (neutral)    Calculate m/z:
FormulaC14H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID131839795
PlantFA ID10317
InChIKeyKWRQIHPPLYNYJK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-8-12-11-13(12)9-7-10-14(15)16/h12-13H,2-11H2,1H3,
(H,15,16)
SMILESC1(CCCC(O)=O)CC1CCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
253.34Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.24Molar
Refractivity
66.46