Structure Database (LMSD)

Common Name
ethyl 3-hydroxy-hexanoate
Systematic Name
ethyl 3-hydroxy-hexanoate
Synonyms
  • WE(2:0/6:0(3OH))
LM ID
LMFA07010516
Status
Active
Exact Mass
Calculate m/z
160.109945
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)
LYRIITRHDCNUHV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
SMILES (Click to copy)
O=C(CC(O)CCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.69
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 1.67
Molar Refractivity 43.17

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Created at
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Updated at
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