Structure Database (LMSD)

Common Name
ethyl decanoate
Systematic Name
ethyl decanoate
Synonyms
  • WE(2:0/10:0)
LM ID
LMFA07010455
Status
Active
Exact Mass
Calculate m/z
200.17763
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)
RGXWDWUGBIJHDO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 231.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.97
Molar Refractivity 59.73

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Created at
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Updated at
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