Molecule

ID:109384

General Information

Structure

MolImage

Molecular Formula

C₁₀H₂₀O₂

Molecular Mass

172.2646

Exact Mass

172.14632988

Charge

0

InChI

InChI=1S/C10H20O2/c1-5-7-8-9(6-2)10(11-3)12-4/h8,10H,5-7H2,1-4H3

InChIKey

XSMTYWJVGSBFGS-UHFFFAOYSA-N

Canonic Smiles

CCC/C=C(/C(OC)OC)\CC

Isomeric Smiles

CCC/C=C(\CC)/C(OC)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.0984042

LogD (pH = 7.4)

3.0984042

Log P

3.0984042

Molar Refractivity

51.7148

Polarizability

20.291527

Polar Surface Area

18.46

Rotatable Bonds

6

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