Structure Database (LMSD)
Common Name
Allyl hexenoate
Systematic Name
prop-2-en-1-yl (2E)-hex-2-enoate
Synonyms
3D model of Allyl hexenoate
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)
VOLVXFXDLNXTMV-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+
SMILES (Click to copy)
O(CC=C)C(=O)/C=C/CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
173.92
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.36
Molar Refractivity
45.69
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Created at
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Updated at
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