Molecule

ID:111820

General Information

Structure

MolImage

Molecular Formula

C₁₀H₂₂O

Molecular Mass

158.28108

Exact Mass

158.16706532

Charge

0

InChI

InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3

InChIKey

VREDNSVJXRJXRI-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCC(O)(C)C

Isomeric Smiles

CCCCCCCC(C)(C)O

Calculated Properties

JChem

Acid pKa

18.530775

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.2807481

LogD (pH = 7.4)

3.2807484

Log P

3.2807484

Molar Refractivity

49.595898

Polarizability

19.78336

Polar Surface Area

20.23

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity