Structure Database (LMSD)

Common Name
3Z-Hexenyl butyrate
Systematic Name
3Z-Hexenyl butanoate
Synonyms
  • WE(6:1(3Z)/4:0)
LM ID
LMFA07010593
Formula
Exact Mass
Calculate m/z
170.13068
Sum Composition
Status
Active


Classification

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ZCHOPXVYTWUHDS-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
SMILES (Click to copy)
O=C(CCC)OCC/C=C\CC

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

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Created at
-
Updated at
6th Jun 2022