Molecule

ID:85264

General Information

Structure

Molecular Formula

C₈H₁₈O₂

Molecular Mass

146.22732

Exact Mass

146.13067982

Charge

0

InChI

InChI=1S/C8H18O2/c1-3-4-5-8(6-9)7(2)10/h7-10H,3-6H2,1-2H3

InChIKey

OTKHZEOSBVSFCJ-UHFFFAOYSA-N

Canonic Smiles

CCCCC(C(O)C)CO

Isomeric Smiles

OC(C(CO)CCCC)C

Calculated Properties

JChem

Acid pKa

14.982576

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

1.0808853

LogD (pH = 7.4)

1.0808852

Log P

1.0808853

Molar Refractivity

42.0572

Polarizability

16.702343

Polar Surface Area

40.46

Rotatable Bonds

5

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