Molecule
ID:83472
General Information
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3
InChIKey
QBAQBGVSOIIKBF-UHFFFAOYSA-N
Canonic Smiles
CC1(O)CC2CC1CC2
Isomeric Smiles
OC1(C2CC(C1)CC2)C
Calculated Properties
JChem
Acid pKa
19.353428
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3049673
LogD (pH = 7.4)
1.3049675
Log P
1.3049675
Molar Refractivity
36.5307
Polarizability
14.624914
Polar Surface Area
20.23
Rotatable Bonds
0
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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