Molecule

ID:110646

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆O₂

Molecular Mass

144.21144

Exact Mass

144.11502975

Charge

0

InChI

InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3

InChIKey

OSVRJMZINDGZFB-UHFFFAOYSA-N

Canonic Smiles

CCC/C=C/C(OC)OC

Isomeric Smiles

CCC/C=C/C(OC)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.410474

LogD (pH = 7.4)

2.410474

Log P

2.410474

Molar Refractivity

42.8318

Polarizability

16.60571

Polar Surface Area

18.46

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