Structure Database (LMSD)
Common Name
Cyclohexyl butanoate
Systematic Name
cyclohexyl butanoate
Synonyms
3D model of Cyclohexyl butanoate
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)
VZHUBBUZNIULNM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
SMILES (Click to copy)
O=C(OC1CCCCC1)CCC
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
184.14
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.95
Molar Refractivity
48.38
Admin
Created at
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Updated at
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