Structure Database (LMSD)
Common Name
2-Propenyl cyclohexanebutanoate
Systematic Name
prop-2-en-1-yl 4-cyclohexylbutanoate
Synonyms
3D model of 2-Propenyl cyclohexanebutanoate
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)
SIIAEMSHVLJRHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2
SMILES (Click to copy)
C(=C)COC(=O)CCCC1CCCCC1
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
233.40
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.75
Molar Refractivity
62.07
Admin
Created at
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Updated at
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