Molecule
ID:88428
General Information
Molecular Formula
C₁₀H₂₂O₂
Molecular Mass
174.28048
Exact Mass
174.16197994
Charge
0
InChI
InChI=1S/C10H22O2/c1-3-4-5-6-7-10(12)8-9(2)11/h9-12H,3-8H2,1-2H3
InChIKey
AMJXRWSHIASCAM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CC(O)C)O
Isomeric Smiles
OC(C)CC(CCCCCC)O
Calculated Properties
JChem
Acid pKa
15.033706
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9852277
LogD (pH = 7.4)
1.9852277
Log P
1.9852277
Molar Refractivity
51.1846
Polarizability
20.385025
Polar Surface Area
40.46
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
No Data Available
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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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