Structure database (LMSD)

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LM IDLMFA01170016
Common Name3-methyl-tridecanedioic acid
Systematic Name3-methyl-tridecanedioic acid
Synonyms-
Exact Mass
258.1831 (neutral)    Calculate m/z:
FormulaC14H26O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesBranched fatty acids[FA0102]
LIPIDAT ID5312
PubChem CID9543659
InChIKeyXGGBLUZXXAOZCR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O4/c1-12(11-14(17)18)9-7-5-3-2-4-6-8-10-13(15)16/h12H,2-11H2,1H3,
(H,15,16)(H,17,18)
SMILESC(CC(C)CCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
280.64Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.69Molar
Refractivity
70.61