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
Classification
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
Other Databases
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
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Created at
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Updated at
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