Molecule

ID:109495

General Information

Structure

MolImage

Molecular Formula

C₁₂H₂₄O₂

Molecular Mass

200.31776

Exact Mass

200.17763001

Charge

0

InChI

InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3

InChIKey

DVFZGWDMFKTMFQ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCC(=O)OC(C)C

Isomeric Smiles

CCCCCCCCC(=O)OC(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.063879

LogD (pH = 7.4)

4.063879

Log P

4.063879

Molar Refractivity

58.8131

Polarizability

23.596272

Polar Surface Area

26.3

Rotatable Bonds

9

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