Molecule
ID:80312
General Information
Molecular Formula
C₈H₁₈O₂
Molecular Mass
146.22732
Exact Mass
146.13067982
Charge
0
InChI
InChI=1S/C8H18O2/c1-7(2,5-6-9)8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKey
XSVKRMZQGLKDGT-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(O)(C)C)(C)C
Isomeric Smiles
OC(C(CCO)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
14.788383
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8087687
LogD (pH = 7.4)
0.8087687
Log P
0.8087687
Molar Refractivity
41.9903
Polarizability
16.702343
Polar Surface Area
40.46
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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