Structure database (LMSD)

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LM IDLMFA01020201
Common Name8-methyl-hexadecanoic acid
Systematic Name8-methyl-hexadecanoic 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]
LIPIDAT ID5198
PubChem CID5312298
InChIKeyLAAIFKSODDOQCB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H34O2/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
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SMILES
C(CCCCCCC(C)CCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.80Molar
Refractivity
82.49