Molecule

ID:125268

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey
YIWUKEYIRIRTPP-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CO)CC
Isomeric Smiles
CCCCC(CC)CO
Calculated Properties
JChem
LogD (pH = 7.4)
2.50
LogD (pH = 5.5)
2.50
Log P
2.50
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.62
Polar Surface Area
20.23
Polarizability
16.82
Molar Refractivity
40.41
LOG S
-2.33
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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