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

• ChemBase ID: 119378
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: N1=C(OC(CC1(C)C)C)C=C
• Canonical SMILES: C=CC1=NC(CC(O1)C)(C)C
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• PubChem SID: 162107554
• PubChem CID: 90992

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.952899
• LogD (pH = 7.4): 2.1150925
• Log P: 2.117607
• Molar Refractivity: 45.6554 cm^3
• Polarizability: 17.756004 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true