Structure database (LMSD)

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LM IDLMFA01060096
Common Name12-methyl-10-oxo-tridecanoic acid
Systematic Name12-methyl-10-oxo-tridecanoic acid
Synonyms-
Exact Mass
242.1882 (neutral)    Calculate m/z:
FormulaC14H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 14:1;O
LIPIDAT ID5284
PubChem CID5312892
InChIKeyGPDNBRNVGBBFDP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H26O3/c1-12(2)11-13(15)9-7-5-3-4-6-8-10-14(16)17/h12H,3-11H2,1-2H3,(H,16,17)
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SMILES
C(CCCCCCCCC(=O)CC(C)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
271.85Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.81Molar
Refractivity
69.03