Structure Database (LMSD)
Common Name
5-Octenyl propanoate
Systematic Name
(5Z)-oct-5-en-1-yl propanoate
Synonyms
3D model of 5-Octenyl propanoate
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)
LWYSNOFRZXMWJC-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
SMILES (Click to copy)
O(C(=O)CC)CCCC/C=C\CC
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
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Created at
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Updated at
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