Structure Database (LMSD)
Common Name
(E)-2-Octenyl hexanoate
Systematic Name
(E)-2-Octenyl hexanoate
Synonyms
- WE(8:1(2E)/6:0)
3D model of (E)-2-Octenyl hexanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
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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