Molecule

ID:129264

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1
InChIKey
JGQFVRIQXUFPAH-JTQLQIEISA-N
Canonic Smiles
OCC[C@H](CCCC(=C)C)C
Isomeric Smiles
C[C@H](CCO)CCCC(=C)C
Calculated Properties
JChem
Acid pKa
17.109798
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.809989
LogD (pH = 7.4)
2.809989
Log P
2.809989
Molar Refractivity
49.4136
Polarizability
19.548393
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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