Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020047
Common Name4,14-dimethyl-heptadecanoic acid
Systematic Name4,14-dimethyl-heptadecanoic acid
Synonyms-
Exact Mass
298.2872 (neutral)    Calculate m/z:
FormulaC19H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7015
PubChem CID5282628
InChIKeyQZEMXPHXFNUFBC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H38O2/c1-4-12-17(2)13-10-8-6-5-7-9-11-14-18(3)15-16-19(20)21/h17-18H
,4-16H2,1-3H3,(H,20,21)
SMILESC(CCCC(C)CCC)CCCCCC(C)CCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
352.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.43Molar
Refractivity
91.66