Molecule

ID:112491

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-5-6-7-9(4,10)8(2)3/h8,10H,5-7H2,1-4H3
InChIKey
JIEGVNXCNNWVPH-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(C)C)(O)C
Isomeric Smiles
CCCCC(C)(O)C(C)C
Calculated Properties
JChem
Acid pKa
19.665716
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8345373
LogD (pH = 7.4)
2.8345375
Log P
2.8345375
Molar Refractivity
44.7885
Polarizability
17.937511
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