5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione

C13H21NO3 — CID 20872117

IUPAC5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione
SMILESCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C13H21NO3/c1-12(2,3)8-9(13(4,5)6)17-11(16)14(7)10(8)15/h1-7H3
InChIKeyRVHJTBOBDCAWOI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.93
Rot. Bonds

About 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione

5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione (PubChem CID 20872117) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione
PubChem CID20872117
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione
SMILESCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C13H21NO3/c1-12(2,3)8-9(13(4,5)6)17-11(16)14(7)10(8)15/h1-7H3
InChIKeyRVHJTBOBDCAWOI-UHFFFAOYSA-N
XLogP1.93
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione?
The IUPAC name of 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione (CID 20872117) is 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione.
What is the SMILES notation for 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione?
The canonical SMILES for 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione is Cn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione?
The InChIKey is RVHJTBOBDCAWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2,3)8-9(13(4,5)6)17-11(16)14(7)10(8)15/h1-7H3.
What are the key properties of 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione?
5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione has a molecular weight of 239.31 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-methyl-1,3-oxazine-2,4-dione is sourced from PubChem (CID 20872117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).