Molecule

ID:73699

General Information

Structure

Molecular Formula

C₉H₁₆O₂

Molecular Mass

156.22214

Exact Mass

156.11502975

Charge

0

InChI

InChI=1S/C9H16O2/c1-4-11-9(10)7-5-6-8(2)3/h2,4-7H2,1,3H3

InChIKey

YAGNKYLIKNJGBM-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCCC(=C)C

Isomeric Smiles

O(C(=O)CCCC(=C)C)CC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.2529714

LogD (pH = 7.4)

2.2529714

Log P

2.2529714

Molar Refractivity

44.9174

Polarizability

17.827818

Polar Surface Area

26.3

Rotatable Bonds

6

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