Molecule

ID:107519

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-5-6-7(2)8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKey
BFKOEFFCVFMWPF-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(O)(C)C)C
Isomeric Smiles
CCCC(C)C(C)(C)O
Calculated Properties
JChem
Acid pKa
19.094433
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.312015
LogD (pH = 7.4)
2.312015
Log P
2.312015
Molar Refractivity
40.2645
Polarizability
16.091919
Polar Surface Area
20.23
Rotatable Bonds
3
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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