Molecule

ID:112359

General Information

Structure

Molecular Formula

C₉H₁₈O

Molecular Mass

142.23862

Exact Mass

142.1357652

Charge

0

InChI

InChI=1S/C9H18O/c1-9(10)7-5-3-2-4-6-8-9/h10H,2-8H2,1H3

InChIKey

YCICXFIRAMLYDV-UHFFFAOYSA-N

Canonic Smiles

CC1(O)CCCCCCC1

Isomeric Smiles

CC1(O)CCCCCCC1

Calculated Properties

JChem

Acid pKa

19.294662

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.4504073

LogD (pH = 7.4)

2.4504075

Log P

2.4504075

Molar Refractivity

43.1157

Polarizability

17.201416

Polar Surface Area

20.23

Rotatable Bonds

0

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