Molecule

ID:112366

General Information

Structure

Molecular Formula

C₁₀H₂₂O

Molecular Mass

158.28108

Exact Mass

158.16706532

Charge

0

InChI

InChI=1S/C10H22O/c1-4-5-6-7-8-10(11)9(2)3/h9-11H,4-8H2,1-3H3

InChIKey

OFIYMUXECPHIPZ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(C(C)C)O

Isomeric Smiles

CCCCCCC(O)C(C)C

Calculated Properties

JChem

Acid pKa

18.827166

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.443098

LogD (pH = 7.4)

3.443098

Log P

3.443098

Molar Refractivity

49.3523

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