Structure Database (LMSD)

Common Name
Methyl 7-oxo-11E-tetradecenoate
Systematic Name
Methyl 7-oxo-11E-tetradecenoate
Synonyms
  • WE(1:0/14:1(11E)(7Ke))
LM ID
LMFA07010489
Status
Active
Exact Mass
Calculate m/z
254.188195
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)
VXYDRFPPIDYAPI-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C15H26O3/c1-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18-2/h4-5H,3,6-13H2,1-2H3/b5-4+
SMILES (Click to copy)
O=C(CCCCCC(=O)CCC/C=C/CC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.51
Topological Polar Surface Area 43.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.82
Molar Refractivity 73.39

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Created at
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Updated at
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