Molecule

ID:73702

General Information

Structure

Molecular Formula

C₁₁H₂₀O₂

Molecular Mass

184.2753

Exact Mass

184.14632988

Charge

0

InChI

InChI=1S/C11H20O2/c1-4-13-11(12)9-7-5-6-8-10(2)3/h2,4-9H2,1,3H3

InChIKey

RYHNRWRFYAIXQS-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCCCCC(=C)C

Isomeric Smiles

O(C(=O)CCCCCC(=C)C)CC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.1421087

LogD (pH = 7.4)

3.1421087

Log P

3.1421087

Molar Refractivity

54.1194

Polarizability

21.513336

Polar Surface Area

26.3

Rotatable Bonds

8

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