Structure Database (LMSD)
Common Name
trans-2-Hexenyl 2-methylbutyrate
Systematic Name
(2E)-hex-2-en-1-yl 2-methylbutanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of trans-2-Hexenyl 2-methylbutyrate
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)
SXJKRFLZGRFPBD-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
SMILES (Click to copy)
O=C(C(CC)C)OC/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
Admin
Created at
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Updated at
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