Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140052
Common Name3,4-methylenedodecanoic acid
Systematic Name3,4-methylenedodecanoic acid
Synonyms-
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID67849609
PlantFA ID10344
InChIKeyNZJKQTZCWFZUOY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-11-9-12(11)10-13(14)15/h11-12H,2-10H2,1H3,(H,
14,15)
SMILESC(CC1CC1CCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
236.04Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.85Molar
Refractivity
61.84