Structure Database (LMSD)

Common Name
9,10-Epoxy-12-octadecynoic acid
Systematic Name
9,10-Epoxy-octadec-12-ynoic acid
Synonyms
  • 3-(2-Octynyl)-oxiraneoctanoic acid
LM ID
LMFA01070028
Status
Active
Exact Mass
Calculate m/z
294.219495
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)
WBLXRDBPMRYRBK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC1OC1CC#CCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 326.05
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.12
Molar Refractivity 86.17

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Created at
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Updated at
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