Molecule

ID:134816

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
105.15272451
Exact Mass
105.11452958
Charge
0
InChI
InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3/i2+1,3+1,4+1
InChIKey
NUMQCACRALPSHD-VWNJCJTFSA-N
Canonic Smiles
CCOC([13CH3])([13CH3])[13CH3]
Isomeric Smiles
CCOC([13CH3])([13CH3])[13CH3]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5353171
LogD (pH = 7.4)
1.5353171
Log P
1.5353171
Molar Refractivity
31.5667
Polarizability
12.476034
Polar Surface Area
9.23
Rotatable Bonds
2
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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