Structure Database (LMSD)
Common Name
7Z-Octadecenyl isobutyrate
Systematic Name
7Z-Octadecenyl isobutyrate
Synonyms
- WE(18:1(7Z)/3:0(2Me))
3D model of 7Z-Octadecenyl isobutyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
JQGSOGQDFBRJFA-YPKPFQOOSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h13-14,21H,4-12,15-20H2,1-3H3/b14-13-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCC/C=C\CCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
401.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.51
Molar Refractivity
105.74
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Created at
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Updated at
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