2-ethenyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine|4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-1,3-oxazine|2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

General Information

Structure

Molecular Formula

C₉H₁₅NO

Molecular Mass

153.2215

Exact Mass

153.11536411

Charge

InChI

InChI=1S/C9H15NO/c1-5-8-10-9(3,4)6-7(2)11-8/h5,7H,1,6H2,2-4H3

InChIKey

JMQHTHXKRALUHF-UHFFFAOYSA-N

Canonic Smiles

C=CC1=NC(CC(O1)C)(C)C

Isomeric Smiles

N1=C(OC(CC1(C)C)C)C=C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.952899

LogD (pH = 7.4)

2.1150925

Log P

2.117607

Molar Refractivity

45.6554

Polarizability

17.756004

Polar Surface Area

21.59

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-ethenyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine

IUPAC Traditional name

2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

Synonyms

4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-1,3-oxazine

Names and Identifiers

Registration numbers

PubChem SID

162107554

PubChem CID

90992

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119378