Structure Database (LMSD)
Common Name
(Z)-9-Octadecenyl 3-methylbutanoate
Systematic Name
(Z)-9-Octadecenyl 3-methylbutanoate
Synonyms
- WE(18:1(9Z)/4:0(3Me))
3D model of (Z)-9-Octadecenyl 3-methylbutanoate
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)
LOCNAPVACGRDIV-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h11-12,22H,4-10,13-21H2,1-3H3/b12-11-
SMILES (Click to copy)
O=C(CC(C)C)OCCCCCCCC/C=C\CCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
418.76
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.90
Molar Refractivity
110.36
Admin
Created at
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Updated at
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