Molecule

ID:112683

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₈O₂

Molecular Mass

170.24872

Exact Mass

170.13067982

Charge

0

InChI

InChI=1S/C10H18O2/c1-5-6-7-8-12-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3

InChIKey

CGWWZVQUBASPQE-UHFFFAOYSA-N

Canonic Smiles

CCC/C=C/OC(=O)C(C)(C)C

Isomeric Smiles

CCC/C=C/OC(=O)C(C)(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.5025315

LogD (pH = 7.4)

3.5025315

Log P

3.5025315

Molar Refractivity

49.6829

Polarizability

19.670214

Polar Surface Area

26.3

Rotatable Bonds

5

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