Molecule

ID:86992

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₅
Molecular Mass
230.25762
Exact Mass
230.11542368
Charge
0
InChI
InChI=1S/C11H18O5/c1-4-9(12)8(11(14)16-6-3)7-10(13)15-5-2/h8H,4-7H2,1-3H3
InChIKey
OZWSCJMKEPYAAI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(=O)OCC)C(=O)CC
Isomeric Smiles
O=C(C(C(=O)CC)CC(=O)OCC)OCC
Calculated Properties
JChem
Acid pKa
6.324745
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5450228
LogD (pH = 7.4)
0.5340448
Log P
1.3717613
Molar Refractivity
57.0421
Polarizability
22.68059
Polar Surface Area
69.67
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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