Molecule

ID:56267

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄O₃

Molecular Mass

158.19496

Exact Mass

158.09429431

Charge

0

InChI

InChI=1S/C8H14O3/c1-8(7(9)10-2)5-3-4-6-11-8/h3-6H2,1-2H3

InChIKey

GISSCGULKPIPJV-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1(C)CCCCO1

Isomeric Smiles

C1COC(CC1)(C)C(=O)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.2435151

LogD (pH = 7.4)

1.2435151

Log P

1.2435151

Molar Refractivity

40.4668

Polarizability

16.226404

Polar Surface Area

35.53

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity