Molecule

ID:8086

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₂
Molecular Mass
184.2753
Exact Mass
184.14632988
Charge
0
InChI
InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
InChIKey
YRAJNWYBUCUFBD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)CC(=O)C(C)(C)C
Isomeric Smiles
CC(C(=O)CC(=O)C(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
8.564002
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9268322
LogD (pH = 7.4)
3.8984318
Log P
3.9272065
Molar Refractivity
53.4948
Polarizability
21.132933
Polar Surface Area
34.14
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