Structure Database (LMSD)
Common Name
(Z)-3-Dodecenyl (E)-2-butenoate
Systematic Name
(Z)-3-Dodecenyl (E)-2-butenoate
Synonyms
- WE(12:1(3Z)/4:1(2E))
3D model of (Z)-3-Dodecenyl (E)-2-butenoate
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)
VPVYOJQBLAZGEP-DVRGKXNHSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11-,14-4+
SMILES (Click to copy)
O=C(/C=C/C)OCC/C=C\CCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
295.02
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.09
Molar Refractivity
78.01
Admin
Created at
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Updated at
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