Structure Database (LMSD)

Common Name
10,11-Epoxy-7Z-hexadecenoic acid
Systematic Name
10,11-Epoxy-7Z-hexadecenoic acid
Synonyms
  • 10,11-Epoxy-Z-7-hexadecenoic acid
  • 7Z-9-(3-pentyloxiranyl)-7-Nonenoic acid
  • 10,11-Epoxyhexadec-7c-enoic acid
LM ID
LMFA01070026
Status
Active
Exact Mass
Calculate m/z
268.203845
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)
OOBAENXGGRRPTQ-TWGQIWQCSA-N
InChi (Click to copy)
InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-
SMILES (Click to copy)
C(O)(=O)CCCCC/C=C\CC1C(CCCCC)O1

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 294.09
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.89
Molar Refractivity 78.3

Admin

Created at
-
Updated at
-