Structure Database (LMSD)

Common Name
Linderic acid
Systematic Name
4-dodecenoic acid
Synonyms
  • C12:1n-8
LM ID
LMFA01030038
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GCORITRBZMICMI-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-9H,2-7,10-11H2,1H3,(H,13,14)/b9-8+
SMILES (Click to copy)
C(CC)CCCC/C=C/CCC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.77
Molar Refractivity 59.39

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Created at
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Updated at
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