Molecule

ID:68407

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O
Molecular Mass
128.21204
Exact Mass
128.12011513
Charge
0
InChI
InChI=1S/C8H16O/c1-8(2)5-3-7(9)4-6-8/h7,9H,3-6H2,1-2H3
InChIKey
VUQOIZPFYIVUKD-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)(C)C
Isomeric Smiles
C1(CCC(CC1)(C)C)O
Calculated Properties
JChem
Acid pKa
18.019367
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8677597
LogD (pH = 7.4)
1.8677597
Log P
1.8677597
Molar Refractivity
38.2992
Polarizability
15.356882
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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