Molecule
ID:119533
General Information
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
186.29118
Exact Mass
186.16197994
Charge
0
InChI
InChI=1S/C11H22O2/c1-9(2)6-7-13-10(3)8-11(4,5)12/h6,10,12H,7-8H2,1-5H3
InChIKey
YWWQBSLTTHGYSQ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(O)(C)C)OCC=C(C)C
Isomeric Smiles
C(CC(OCC=C(C)C)C)(O)(C)C
Calculated Properties
JChem
Acid pKa
15.312691
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.96938
LogD (pH = 7.4)
1.96938
Log P
1.96938
Molar Refractivity
56.7642
Polarizability
22.061634
Polar Surface Area
29.46
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
No Data Available
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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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