Molecule

ID:136019

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O
Molecular Mass
89.1479117
Exact Mass
89.09303208
Charge
0
InChI
InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3/i6+1
InChIKey
KPSSIOMAKSHJJG-PTQBSOBMSA-N
Canonic Smiles
[17OH]CC(C)(C)C
Isomeric Smiles
CC(C)(C)C[17OH]
Calculated Properties
JChem
Acid pKa
17.852358
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.103727
LogD (pH = 7.4)
1.103727
Log P
1.103727
Molar Refractivity
26.4036
Polarizability
10.557932
Polar Surface Area
20.23
Rotatable Bonds
1
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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