Molecule

ID:74488

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₂
Molecular Mass
196.286
Exact Mass
196.14632988
Charge
0
InChI
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3
InChIKey
OPCRGEVPIBLWAY-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C=C/C(=O)OCC
Isomeric Smiles
O=C(/C=C/C=C/CCCCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.961108
LogD (pH = 7.4)
3.961108
Log P
3.961108
Molar Refractivity
61.2052
Polarizability
23.118528
Polar Surface Area
26.3
Rotatable Bonds
8
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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