Structure Database (LMSD)

Common Name
14,15-Dehydrocrepenynic acid
Systematic Name
9Z,14Z-Octadecadien-12-ynoic acid
Synonyms
  • 9,14-Octadecadien-12-ynoic acid, (9Z,14Z)-
  • 9,14-Octadecadien-12-ynoic acid, (Z,Z)-
  • Crepenynic acid, 14,15-dehydro-
  • Dehydrocrepenynic acid
LM ID
LMFA01031062
Status
Active
Exact Mass
Calculate m/z
276.20893
Formula
Abbrev


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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)
HJYQCZVMQAYTMN-ACHWKMRWSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b5-4-,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC#C/C=C\CCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 324.34
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.11
Molar Refractivity 85.54

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022