Molecule

ID:111465

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₆
Molecular Mass
260.2836
Exact Mass
260.12598836
Charge
0
InChI
InChI=1S/C12H20O6/c1-5-16-10(13)8(4)9(11(14)17-6-2)12(15)18-7-3/h8-9H,5-7H2,1-4H3
InChIKey
JYMRIBGHCMHLSA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(=O)OCC)C)C(=O)OCC
Isomeric Smiles
CCOC(=O)C(C)C(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
14.143652
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8337991
LogD (pH = 7.4)
1.185208
Log P
1.3872882
Molar Refractivity
62.9563
Polarizability
25.250114
Polar Surface Area
78.9
Rotatable Bonds
10
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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