Structure Database (LMSD)

Common Name
7-trans,9-cis-octadecadienoic acid
Systematic Name
7E,9Z-octadecadienoic acid
Synonyms
  • trans-7,cis-9-cctadecadienoate
  • C18:2n-9,11
LM ID
LMFA01030812
Status
Active
Exact Mass
Calculate m/z
280.24023
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)
HACBQSMIIGXKGA-XAZJVICWSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-12H,2-8,13-17H2,1H3,(H,19,20)/b10-9-,12-11+
SMILES (Click to copy)
C(CCCCC/C=C/C=C\CCCCCCCC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

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Created at
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Updated at
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