Molecule

ID:73685

General Information

Structure

Molecular Formula

C₁₁H₂₀O₂

Molecular Mass

184.2753

Exact Mass

184.14632988

Charge

0

InChI

InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3H,1,4-10H2,2H3

InChIKey

SOSSRQZGHXOQQE-UHFFFAOYSA-N

Canonic Smiles

C=CCCCCCCC(=O)OCC

Isomeric Smiles

O=C(CCCCCCC=C)OCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.343316

LogD (pH = 7.4)

3.343316

Log P

3.343316

Molar Refractivity

54.4384

Polarizability

21.513336

Polar Surface Area

26.3

Rotatable Bonds

9

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity