Molecule

ID:90532

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₂
Molecular Mass
196.286
Exact Mass
196.14632988
Charge
0
InChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3
InChIKey
HIGQPQRQIQDZMP-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\COC(=O)C)/CCC=C(C)C
Isomeric Smiles
O(C/C=C(\C)/CCC=C(C)C)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9435086
LogD (pH = 7.4)
2.9435086
Log P
2.9435086
Molar Refractivity
60.3336
Polarizability
23.118528
Polar Surface Area
26.3
Rotatable Bonds
6
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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