Molecule

ID:107948

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h6,8-9,11H,5,7H2,1-4H3
InChIKey
VUGJPGPMYGKRPW-UHFFFAOYSA-N
Canonic Smiles
OC/C(=C/CC(C)C)/C(C)C
Isomeric Smiles
CC(C)C/C=C(/CO)\C(C)C
Calculated Properties
JChem
Acid pKa
17.207937
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7504132
LogD (pH = 7.4)
2.7504132
Log P
2.7504132
Molar Refractivity
50.2797
Polarizability
19.548393
Polar Surface Area
20.23
Rotatable Bonds
4
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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