Structure Database (LMSD)

Common Name
(E)-2-Octenyl hexanoate
Systematic Name
(E)-2-Octenyl hexanoate
Synonyms
  • WE(8:1(2E)/6:0)
LM ID
LMFA07010605
Formula
Exact Mass
Calculate m/z
226.19328
Sum Composition
Status
Active

Classification

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
KKXAKIPTZJTCKT-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h9,11H,3-8,10,12-13H2,1-2H3/b11-9+
SMILES (Click to copy)
O=C(CCCCC)OC/C=C/CCCCC

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.53
Molar Refractivity 68.87

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Created at
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Updated at
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