Structure database (LMSD)

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LM IDLMFA01020164
Common Name3-methyl-pentadecanoic acid
Systematic Name3-methyl-pentadecanoic acid
Synonyms-
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7132
PubChem CID5282693
InChIKeyRCLBZEBFPBWRIH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
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SMILES
C(CCCCC)CCCCCCC(C)CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.41Molar
Refractivity
77.88