Molecule

ID:107778

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O
Molecular Mass
158.28108
Exact Mass
158.16706532
Charge
0
InChI
InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
InChIKey
PRNCMAKCNVRZFX-UHFFFAOYSA-N
Canonic Smiles
OCCC(CCCC(C)C)C
Isomeric Smiles
CC(C)CCCC(C)CCO
Calculated Properties
JChem
Acid pKa
17.109798
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1576347
LogD (pH = 7.4)
3.1576347
Log P
3.1576347
Molar Refractivity
49.6361
Polarizability
19.78336
Polar Surface Area
20.23
Rotatable Bonds
6
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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