Structure Database (LMSD)

Common Name
Methyl heptadecanoate
Systematic Name
Methyl heptadecanoate
Synonyms
  • WE(1:0/17:0)
LM ID
LMFA07010473
Status
Active
Exact Mass
Calculate m/z
284.27153
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)
HUEBIMLTDXKIPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.03
Molar Refractivity 86.95

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Created at
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Updated at
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