Molecule

ID:110284

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKey
PQOSNJHBSNZITJ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC)(O)C
Isomeric Smiles
CCCCC(C)(O)CC
Calculated Properties
JChem
Acid pKa
19.094194
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4695647
LogD (pH = 7.4)
2.4695647
Log P
2.4695647
Molar Refractivity
40.3169
Polarizability
16.091919
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...