Molecule

ID:80411

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-8(10)4-5-2-6(8)3-7(5)9/h5-7,9-10H,2-4H2,1H3
InChIKey
KCMGOCZMLWRHIJ-UHFFFAOYSA-N
Canonic Smiles
OC1CC2CC1CC2(C)O
Isomeric Smiles
OC1(C2CC(C1)C(C2)O)C
Calculated Properties
JChem
Acid pKa
14.543357
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.003797311
LogD (pH = 7.4)
-0.0037973418
Log P
-0.0037973106
Molar Refractivity
38.1232
Polarizability
15.256077
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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