Molecule

ID:111169

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆O

Molecular Mass

128.21204

Exact Mass

128.12011513

Charge

0

InChI

InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3

InChIKey

BUCJHJXFXUZJHL-UHFFFAOYSA-N

Canonic Smiles

CCC1(O)CCCCC1

Isomeric Smiles

CCC1(O)CCCCC1

Calculated Properties

JChem

Acid pKa

19.587505

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.0837924

LogD (pH = 7.4)

2.0837924

Log P

2.0837924

Molar Refractivity

38.4377

Polarizability

15.356882

Polar Surface Area

20.23

Rotatable Bonds

1

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