Molecule

ID:107461

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₂
Molecular Mass
146.22732
Exact Mass
146.13067982
Charge
0
InChI
InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChIKey
LSXWFXONGKSEMY-UHFFFAOYSA-N
Canonic Smiles
CC(OOC(C)(C)C)(C)C
Isomeric Smiles
CC(C)(C)OOC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4166384
LogD (pH = 7.4)
2.4166384
Log P
2.4166384
Molar Refractivity
41.705
Polarizability
16.847076
Polar Surface Area
18.46
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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