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
Classification
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
Other Databases
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
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Created at
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Updated at
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