Molecule

ID:90339

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O
Molecular Mass
88.14818
Exact Mass
88.088815
Charge
0
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
InChIKey
BZLVMXJERCGZMT-UHFFFAOYSA-N
Canonic Smiles
COC(C)(C)C
Isomeric Smiles
O(C(C)(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.18
LogD (pH = 5.5)
1.18
Log P
1.18
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.14
Polar Surface Area
9.23
Polarizability
10.88
Molar Refractivity
26.82
LOG S
-0.12
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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