4-tert-butyl-4-methyloxazine

C9H15NO — CID 145404738

IUPAC4-tert-butyl-4-methyloxazine
SMILESCC(C)(C)C1(C)C=CON=C1
InChIInChI=1S/C9H15NO/c1-8(2,3)9(4)5-6-11-10-7-9/h5-7H,1-4H3
InChIKeyDOKQZIQMESZBNB-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.57
Rot. Bonds

About 4-tert-butyl-4-methyloxazine

4-tert-butyl-4-methyloxazine (PubChem CID 145404738) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-tert-butyl-4-methyloxazine.

Molecular Properties

Compound Name4-tert-butyl-4-methyloxazine
PubChem CID145404738
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-tert-butyl-4-methyloxazine
SMILESCC(C)(C)C1(C)C=CON=C1
InChIInChI=1S/C9H15NO/c1-8(2,3)9(4)5-6-11-10-7-9/h5-7H,1-4H3
InChIKeyDOKQZIQMESZBNB-UHFFFAOYSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyloxazine?
The IUPAC name of 4-tert-butyl-4-methyloxazine (CID 145404738) is 4-tert-butyl-4-methyloxazine.
What is the SMILES notation for 4-tert-butyl-4-methyloxazine?
The canonical SMILES for 4-tert-butyl-4-methyloxazine is CC(C)(C)C1(C)C=CON=C1.
What is the InChIKey of 4-tert-butyl-4-methyloxazine?
The InChIKey is DOKQZIQMESZBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2,3)9(4)5-6-11-10-7-9/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-4-methyloxazine?
4-tert-butyl-4-methyloxazine has a molecular weight of 153.22 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyloxazine is sourced from PubChem (CID 145404738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).