Structure database (LMSD)

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LM IDLMFA01020107
Common Name2-methyl-2-dodecenoic acid
Systematic Name2-methyl-2-dodecenoic acid
Synonyms-
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 13:1
LIPIDBANK IDDFA7075
PubChem CID5282655
InChIKeyJVAKNQLSBYBCSZ-VAWYXSNFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
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SMILES
C(CC)CCCCCC/C=C(\C)/C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
245.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.16Molar
Refractivity
64.00