Molecule

ID:10699

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₅
Molecular Mass
230.25762
Exact Mass
230.11542368
Charge
0
InChI
InChI=1S/C11H18O5/c1-5-15-10(13)8(9(12)7(3)4)11(14)16-6-2/h7-8H,5-6H2,1-4H3
InChIKey
CBFJLYQEACAOLC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)C(C)C)C(=O)OCC
Isomeric Smiles
C(=O)(C(C(=O)OCC)C(=O)C(C)C)OCC
Calculated Properties
JChem
Acid pKa
4.7389364
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6377797
LogD (pH = 7.4)
0.45389426
Log P
1.9821132
Molar Refractivity
57.0674
Polarizability
22.68059
Polar Surface Area
69.67
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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