Molecule

ID:112753

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-9(2)5-8(11)6-10(3,4)7-9/h8,11H,5-7H2,1-4H3
InChIKey
PIQXIIHPQBQVTP-UHFFFAOYSA-N
Canonic Smiles
OC1CC(C)(C)CC(C1)(C)C
Isomeric Smiles
CC1(C)CC(O)CC(C)(C)C1
Calculated Properties
JChem
Acid pKa
19.265356
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4548259
LogD (pH = 7.4)
2.4548259
Log P
2.4548259
Molar Refractivity
47.3229
Polarizability
19.046404
Polar Surface Area
20.23
Rotatable Bonds
0
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
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References
Bioactivity
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