Structure Database (LMSD)
Common Name
cis-3-Hexenyl crotonate
Systematic Name
(3Z)-hex-3-en-1-yl (2E)-but-2-enoate
Synonyms
3D model of cis-3-Hexenyl crotonate
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)
KITGYVIOYOCIIE-QNMAEOQASA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+
SMILES (Click to copy)
O=C(/C=C/C)OCC/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
191.22
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.75
Molar Refractivity
50.31
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Created at
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Updated at
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