Molecule

ID:111482

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₂O₂

Molecular Mass

186.29118

Exact Mass

186.16197994

Charge

0

InChI

InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3

InChIKey

DGKXDLCVQSQVBC-UHFFFAOYSA-N

Canonic Smiles

CC(CC(C)(C)C)CCOC(=O)C

Isomeric Smiles

CC(CCOC(=O)C)CC(C)(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.00967

LogD (pH = 7.4)

3.00967

Log P

3.00967

Molar Refractivity

54.0607

Polarizability

21.753212

Polar Surface Area

26.3

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