Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020014
Common NameIsostearic acid
Systematic Name16-methyl-heptadecanoic acid
Synonyms16-methyl margaric acid; Isooctadecanoic acid
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0239
PubChem CID21859
HMDB IDHMDB0031066
PlantFA ID10206
InChIKeyXDOFQFKRPWOURC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
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SMILES
C(CCCCCC(C)C)CCCCCCCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume		334.90Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP6.19Molar
Refractivity		87.11