Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020040
Common Name2,6-dimethyl-pentadecanoic acid
Systematic Name2,6-dimethyl-pentadecanoic acid
Synonyms-
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7008
PubChem CID5282621
InChIKeyWHGDPKYLDRGDLD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(18)19/h15-16H,4-14H
2,1-3H3,(H,18,19)
SMILESC(CCCCC)CCCC(C)CCCC(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.65Molar
Refractivity
82.42