Molecule

ID:53536

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₄
Molecular Mass
202.24752
Exact Mass
202.12050906
Charge
0
InChI
InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
InChIKey
BYQFBFWERHXONI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)C(C)C
Isomeric Smiles
C(C(=O)OCC)(C(=O)OCC)C(C)C
Calculated Properties
JChem
Acid pKa
14.259959
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9488608
LogD (pH = 7.4)
1.9488608
Log P
1.9488608
Molar Refractivity
51.7473
Polarizability
20.722631
Polar Surface Area
52.6
Rotatable Bonds
7
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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