Molecule

ID:108487

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₈O₂

Molecular Mass

170.24872

Exact Mass

170.13067982

Charge

0

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3

InChIKey

SCFQUKBBGYTJNC-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCOC(=O)C=C

Isomeric Smiles

CCCCCCCOC(=O)C=C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.5697796

LogD (pH = 7.4)

3.5697796

Log P

3.5697796

Molar Refractivity

49.7371

Polarizability

19.670214

Polar Surface Area

26.3

Rotatable Bonds

8

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