Molecule

ID:61422

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-2-10-8-5-3-7(9)4-6-8/h8H,2-6H2,1H3
InChIKey
LVEFFFUKMDNCBN-UHFFFAOYSA-N
Canonic Smiles
CCOC1CCC(=O)CC1
Isomeric Smiles
C1(=O)CCC(CC1)OCC
Calculated Properties
JChem
Acid pKa
18.77668
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1014102
LogD (pH = 7.4)
1.1014102
Log P
1.1014102
Molar Refractivity
39.4167
Polarizability
15.5047455
Polar Surface Area
26.3
Rotatable Bonds
2
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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