Molecule

ID:111871

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₂
Molecular Mass
196.286
Exact Mass
196.14632988
Charge
0
InChI
InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3
InChIKey
DCXXKSXLKWAZNO-UHFFFAOYSA-N
Canonic Smiles
C=CC(=C)CCCC(OC(=O)C)(C)C
Isomeric Smiles
CC(=O)OC(C)(C)CCCC(=C)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9126904
LogD (pH = 7.4)
2.9126904
Log P
2.9126904
Molar Refractivity
58.5166
Polarizability
23.118528
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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