Molecule
ID:88669
General Information
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
186.29118
Exact Mass
186.16197994
Charge
0
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKey
GZWHUSJKYLPRHF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(C(=O)O)(C)C
Isomeric Smiles
OC(=O)C(CCCCCCC)(C)C
Calculated Properties
JChem
Acid pKa
5.194272
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7636032
LogD (pH = 7.4)
2.0553133
Log P
4.2436028
Molar Refractivity
53.9521
Polarizability
21.497852
Polar Surface Area
37.3
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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