Molecule

ID:45304

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₂
Molecular Mass
118.17416
Exact Mass
118.09937969
Charge
0
InChI
InChI=1S/C6H14O2/c1-6(2)8-5-3-4-7/h6-7H,3-5H2,1-2H3
InChIKey
GBSGXZBOFKJGMG-UHFFFAOYSA-N
Canonic Smiles
OCCCOC(C)C
Isomeric Smiles
C(CO)COC(C)C
Calculated Properties
JChem
Acid pKa
15.89969
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26779014
LogD (pH = 7.4)
0.26779014
Log P
0.26779014
Molar Refractivity
33.3376
Polarizability
13.096364
Polar Surface Area
29.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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