Structure Database (LMSD)

Common Name
ethyl octanoate
Systematic Name
ethyl octanoate
Synonyms
  • WE(2:0/8:0)
LM ID
LMFA07010447
Status
Active
Exact Mass
Calculate m/z
172.14633
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)
YYZUSRORWSJGET-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 196.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.19
Molar Refractivity 50.50

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Created at
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Updated at
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