Molecule
ID:59261
General Information
Molecular Formula
C₈H₁₆O₃
Molecular Mass
160.21084
Exact Mass
160.10994437
Charge
0
InChI
InChI=1S/C8H16O3/c1-6(2)7(9)5-8(10-3)11-4/h6,8H,5H2,1-4H3
InChIKey
UXDOCHQFVMKVKD-UHFFFAOYSA-N
Canonic Smiles
COC(CC(=O)C(C)C)OC
Isomeric Smiles
C(C(=O)C(C)C)C(OC)OC
Calculated Properties
JChem
Acid pKa
17.135098
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6915957
LogD (pH = 7.4)
1.6915957
Log P
1.6915957
Molar Refractivity
42.3301
Polarizability
16.941893
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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