Structure Database (LMSD)

Common Name
2-methyl-2-dodecenoic acid
Systematic Name
2-methyl-2-dodecenoic acid
Synonyms
LM ID
LMFA01020107
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
JVAKNQLSBYBCSZ-VAWYXSNFSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
C(CC)CCCCCC/C=C(\C)/C(=O)O

Other Databases

CHEBI ID
176863
LIPIDBANK ID
DFA7075
PubChem CID
5282655

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.16
Molar Refractivity 64.00

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Created at
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Updated at
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