Structure database (LMSD)

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LM IDLMFA01060091
Common Name3-oxo-dodecanoic acid
Systematic Name3-oxo-dodecanoic acid
Synonyms-
Exact Mass
214.1569 (neutral)    Calculate m/z:
FormulaC12H22O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
LIPIDAT ID2230
PubChem CID439717
KEGG IDC02367
HMDB IDHMDB0010727
CHEBI ID18037
InChIKeyDZHSPYMHDVROSM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
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SMILES
C(CC(=O)CCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
237.25Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.17Molar
Refractivity
59.87