Molecule

ID:129806

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈
Molecular Mass
114.22852
Exact Mass
114.14085058
Charge
0
InChI
InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
InChIKey
OMMLUKLXGSRPHK-UHFFFAOYSA-N
Canonic Smiles
CC(C(C)(C)C)(C)C
Isomeric Smiles
CC(C)(C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.416133
LogD (pH = 7.4)
3.416133
Log P
3.416133
Molar Refractivity
38.2536
Polarizability
15.52291
Polar Surface Area
0.0
Rotatable Bonds
1
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...