Molecule

ID:112557

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-5-8(9,6-2)7(3)4/h7,9H,5-6H2,1-4H3
InChIKey
DMHIJUVUPKCGLJ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C)C)(CC)O
Isomeric Smiles
CCC(O)(CC)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4679222
LogD (pH = 7.4)
2.4679227
Log P
2.4679227
Molar Refractivity
40.1105
Polarizability
16.091919
Polar Surface Area
20.23
Rotatable Bonds
3
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