Molecule

ID:29759

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O
Molecular Mass
128.21204
Exact Mass
128.12011513
Charge
0
InChI
InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3
InChIKey
PYCHXHVFOZBVEY-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)C(C)(C)C
Isomeric Smiles
CC(C(=O)CCC)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0509207
LogD (pH = 7.4)
3.0509207
Log P
3.0509207
Molar Refractivity
39.1251
Polarizability
15.542171
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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