Structure Database (LMSD)
Common Name
(E)-2-Hexenyl hexanoate
Systematic Name
(E)-2-Hexenyl hexanoate
Synonyms
- WE(6:1(2E)/6:0)
3D model of (E)-2-Hexenyl hexanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UQPLEMTXCSYMEK-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
SMILES (Click to copy)
O=C(CCCCC)OC/C=C/CCC
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.75
Molar Refractivity
59.64
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Created at
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Updated at
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