Molecule

ID:70769

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₄
Molecular Mass
216.2741
Exact Mass
216.13615912
Charge
0
InChI
InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3
InChIKey
CLPHAYNBNTVRDI-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)CC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(CC(=O)OC(C)(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.642157
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.06859
LogD (pH = 7.4)
2.0685654
Log P
2.0685902
Molar Refractivity
56.1372
Polarizability
22.553574
Polar Surface Area
52.6
Rotatable Bonds
6
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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