Molecule

ID:80433

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O₄
Molecular Mass
286.407
Exact Mass
286.21440944
Charge
0
InChI
InChI=1S/C16H30O4/c1-7-19-13(17)15(3,4)11-9-10-12-16(5,6)14(18)20-8-2/h7-12H2,1-6H3
InChIKey
DXWTWLAGAIQOEK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CCCCC(C(=O)OCC)(C)C)(C)C
Isomeric Smiles
O=C(C(CCCCC(C(=O)OCC)(C)C)(C)C)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5831966
LogD (pH = 7.4)
4.5831966
Log P
4.5831966
Molar Refractivity
79.1274
Polarizability
31.73274
Polar Surface Area
52.6
Rotatable Bonds
11
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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