Structure Database (LMSD)
Common Name
2-Hexenyl valerate
Systematic Name
(2E)-hex-2-en-1-yl pentanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-Hexenyl valerate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WDXAMNXWZLXISB-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
SMILES (Click to copy)
O(C(CCCC)=O)C/C=C/CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
211.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
55.02
Admin
Created at
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Updated at
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