Structure database (LMSD)

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LM IDLMFA01020004
Common NameIsolauric acid
Systematic Name10-methyl-undecanoic acid
Synonyms10-methyl-hendecanoic acid; Isododecanoic acid
Exact Mass
200.1776 (neutral)    Calculate m/z:
FormulaC12H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0229
PubChem CID75942
CHEBI ID84889
PlantFA ID10762
InChIKeyQJRRBVNPIKYRQJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
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SMILES
C(C)(C)CCCCCCCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
231.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.85Molar
Refractivity
59.41