Molecule

ID:107393

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey
FCOUHTHQYOMLJT-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(O)C)C
Isomeric Smiles
CC(C)CCCC(C)O
Calculated Properties
JChem
Acid pKa
17.683056
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3980534
LogD (pH = 7.4)
2.3980534
Log P
2.3980534
Molar Refractivity
40.3043
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation