4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine

C12H23NO — CID 169298192

IUPAC4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine
SMILESCC(C)(C)C1=C(C(C)(C)C)NCOC1
InChIInChI=1S/C12H23NO/c1-11(2,3)9-7-14-8-13-10(9)12(4,5)6/h13H,7-8H2,1-6H3
InChIKeyRZOXGZZNWURNCL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.91
Rot. Bonds

About 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine

4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine (PubChem CID 169298192) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine
PubChem CID169298192
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine
SMILESCC(C)(C)C1=C(C(C)(C)C)NCOC1
InChIInChI=1S/C12H23NO/c1-11(2,3)9-7-14-8-13-10(9)12(4,5)6/h13H,7-8H2,1-6H3
InChIKeyRZOXGZZNWURNCL-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine?
The IUPAC name of 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine (CID 169298192) is 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine?
The canonical SMILES for 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine is CC(C)(C)C1=C(C(C)(C)C)NCOC1.
What is the InChIKey of 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine?
The InChIKey is RZOXGZZNWURNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)9-7-14-8-13-10(9)12(4,5)6/h13H,7-8H2,1-6H3.
What are the key properties of 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine?
4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine has a molecular weight of 197.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 169298192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).