Structure Database (LMSD)
Common Name
cis-3-Hexenyl tiglate
Systematic Name
(3Z)-hex-3-en-1-yl (2E)-2-methylbut-2-enoate
Synonyms
3D model of cis-3-Hexenyl tiglate
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)
JNWQKXUWZWKUAY-JQEGGOPCSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
SMILES (Click to copy)
CC/C=C\CCOC(/C(/C)=C/C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
208.52
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.14
Molar Refractivity
54.93
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Created at
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Updated at
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