Structure Database (LMSD)

OH O
Common Name
2-methylene dodecanoic acid
Systematic Name
2-decyl-2-propenoic acid
Synonyms
  • 2-decyl acrylic Acid
LM ID
LMFA01020143
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
YWZKHUXXEKYLCD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H,14,15)
SMILES (Click to copy)
C(CC)CCCCCCCC(=C)C(=O)O

References

Other Databases

LIPIDBANK ID
DFA7111
PubChem CID
5282682

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
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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