Molecule

ID:112752

General Information

Structure

MolImage

Molecular Formula

C₁₂H₂₄O₂

Molecular Mass

200.31776

Exact Mass

200.17763001

Charge

0

InChI

InChI=1S/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3

InChIKey

RBKRCARRXLFUGJ-UHFFFAOYSA-N

Canonic Smiles

CCC(OC(=O)C)(CCCC(C)C)C

Isomeric Smiles

CCC(C)(CCCC(C)C)OC(=O)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.642278

LogD (pH = 7.4)

3.642278

Log P

3.642278

Molar Refractivity

58.618

Polarizability

23.596272

Polar Surface Area

26.3

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