Molecule

ID:104348

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₂
Molecular Mass
118.17416
Exact Mass
118.09937969
Charge
0
InChI
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKey
SVTBMSDMJJWYQN-UHFFFAOYSA-N
Canonic Smiles
CC(CC(O)(C)C)O
Isomeric Smiles
CC(O)CC(C)(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.03
LogD (pH = 5.5)
-0.03
Log P
-0.03
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.12
Polar Surface Area
40.46
Polarizability
13.54
Molar Refractivity
32.89
LOG S
0.09
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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