Structure Database (LMSD)

Common Name
Methyl 9Z-hexadecenoate
Systematic Name
Methyl 9Z-hexadecenoate
Synonyms
  • WE(1:0/16:1(9Z))
LM ID
LMFA07010501
Formula
Exact Mass
Calculate m/z
268.24023
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
IZFGRAGOVZCUFB-HJWRWDBZSA-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/h8-9H,3-7,10-16H2,1-2H3/b9-8-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI 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

Admin

Created at
-
Updated at
6th Jun 2022