Structure Database (LMSD)

Common Name
Methyl 7Z-hexadecenoate
Systematic Name
Methyl 7Z-hexadecenoate
Synonyms
  • WE(1:0/16:1(7Z))
LM ID
LMFA07010496
Status
Active
Exact Mass
Calculate m/z
268.24023
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)
FXCDESKKWMGGON-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h10-11H,3-9,12-16H2,1-2H3/b11-10-
SMILES (Click to copy)
O=C(CCCCC/C=C\CCCCCCCC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.42
Molar Refractivity 82.23

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Created at
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Updated at
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