Structure Database (LMSD)
Common Name
16-Methyl-9Z-heptadecenyl isobutyrate
Systematic Name
16-Methyl-9Z-heptadecenyl isobutyrate
Synonyms
- WE(17:1(9Z)(16Me)/3:0(2Me))
3D model of 16-Methyl-9Z-heptadecenyl 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)
ULNXKSFWDNHBAD-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-22(23)21(3)4/h6,8,20-21H,5,7,9-19H2,1-4H3/b8-6-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCC/C=C\CCCCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
401.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.36
Molar Refractivity
105.67
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Created at
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Updated at
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