Molecule

ID:112654

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₄O

Molecular Mass

172.30766

Exact Mass

172.18271539

Charge

0

InChI

InChI=1S/C11H24O/c1-4-6-7-8-10-11(3,12)9-5-2/h12H,4-10H2,1-3H3

InChIKey

INBMULVLVSCIEB-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(CCC)(O)C

Isomeric Smiles

CCCCCCC(C)(O)CCC

Calculated Properties

JChem

Acid pKa

19.34722

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.8032706

LogD (pH = 7.4)

3.8032706

Log P

3.8032706

Molar Refractivity

54.1199

Polarizability

21.629404

Polar Surface Area

20.23

Rotatable Bonds

7

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