Structure Database (LMSD)

Common Name
Caproleic acid
Systematic Name
9-decenoic acid
Synonyms
  • 9-decylenic acid
  • C10:1n-1
LM ID
LMFA01030033
Status
Active
Exact Mass
Calculate m/z
170.13068
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)
KHAVLLBUVKBTBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C=C

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.99
Molar Refractivity 50.15

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Created at
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Updated at
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