Structure Database (LMSD)

Common Name
trans-alpha-octenoic acid
Systematic Name
2E-octenoic acid
Synonyms
  • trans-2-octenoic acid
  • C8:1n-6
LM ID
LMFA01030018
Status
Active
Exact Mass
Calculate m/z
142.09938
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)
CWMPPVPFLSZGCY-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
SMILES (Click to copy)
C(CCC)C/C=C/C(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.21
Molar Refractivity 40.92

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Created at
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Updated at
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