Structure Database (LMSD)
Common Name
2-Hexenyl isovalerate
Systematic Name
(2E)-hex-2-en-1-yl 3-methylbutanoate
Synonyms
3D model of 2-Hexenyl isovalerate
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)
SAVRWHQEMHIAEB-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
SMILES (Click to copy)
O(C(CC(C)C)=O)C/C=C/CCC
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
211.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.22
Molar Refractivity
54.95
Admin
Created at
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Updated at
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