Molecule

ID:107939

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O
Molecular Mass
128.21204
Exact Mass
128.12011513
Charge
0
InChI
InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey
AKRJXOYALOGLHQ-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)CC(C)C
Isomeric Smiles
CCCC(=O)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.683508
LogD (pH = 7.4)
2.683508
Log P
2.683508
Molar Refractivity
39.1992
Polarizability
15.542171
Polar Surface Area
17.07
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