Molecule
ID:109846
General Information
Molecular Formula
C₁₁H₂₀O₃
Molecular Mass
200.2747
Exact Mass
200.1412445
Charge
0
InChI
InChI=1S/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey
PISGMHLBJJGKRM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)C)CCC(C)C
Isomeric Smiles
CCOC(=O)C(CCC(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
10.491033
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8826423
LogD (pH = 7.4)
2.3136911
Log P
2.6649215
Molar Refractivity
54.9827
Polarizability
21.8344
Polar Surface Area
43.37
Rotatable Bonds
7
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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