Structure Database (LMSD)
Common Name
Allyl 3-cyclohexylpropionate
Systematic Name
prop-2-en-1-yl 3-cyclohexylpropanoate
Synonyms
3D model of Allyl 3-cyclohexylpropionate
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)
TWXUTZNBHUWMKJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
SMILES (Click to copy)
C1C(CCC(=O)OCC=C)CCCC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
216.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
57.46
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Created at
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Updated at
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