Molecule
ID:80397
General Information
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-7(2)6-9(4,5)8(3)10/h7H,6H2,1-5H3
InChIKey
JULOHJDJZALMKN-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)C)(C)C)C
Isomeric Smiles
O=C(C(CC(C)C)(C)C)C
Calculated Properties
JChem
Acid pKa
19.380438
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0819726
LogD (pH = 7.4)
3.0819726
Log P
3.0819726
Molar Refractivity
43.6478
Polarizability
17.387396
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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