Molecule

ID:107382

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-4-6-8(9)7(3)5-2/h7-9H,4-6H2,1-3H3
InChIKey
JMRDKKYZLXDPLN-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(CC)C)O
Isomeric Smiles
CCCC(O)C(C)CC
Calculated Properties
JChem
Acid pKa
19.150932
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5539608
LogD (pH = 7.4)
2.5539608
Log P
2.5539608
Molar Refractivity
40.1503
Polarizability
16.091919
Polar Surface Area
20.23
Rotatable Bonds
4
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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