Structure Database (LMSD)
Common Name
Cyclohexyl pentanoate
Systematic Name
cyclohexyl pentanoate
Synonyms
3D model of Cyclohexyl pentanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YLCHTSSXNSNXSW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
SMILES (Click to copy)
O=C(OC1CCCCC1)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
201.44
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.34
Molar Refractivity
53.00
Admin
Created at
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Updated at
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