Molecule

ID:91062

General Information

Structure

Molecular Formula

C₈H₁₈O₃

Molecular Mass

162.22672

Exact Mass

162.12559444

Charge

0

InChI

InChI=1S/C8H18O3/c1-4-9-7-8(10-5-2)11-6-3/h8H,4-7H2,1-3H3

InChIKey

VNSJUZIHZNZLKM-UHFFFAOYSA-N

Canonic Smiles

CCOCC(OCC)OCC

Isomeric Smiles

O(CC(OCC)OCC)CC

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.4269004

LogD (pH = 7.4)

1.4269004

Log P

1.4269004

Molar Refractivity

44.0829

Polarizability

17.554483

Polar Surface Area

27.69

Rotatable Bonds

7

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity