6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one

C16H23NO4Si — CID 11681324

IUPAC6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)NC(=O)C(O[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C16H23NO4Si/c1-10(18)11-7-8-13-12(9-11)17-14(19)15(20-13)21-22(5,6)16(2,3)4/h7-9,15H,1-6H3,(H,17,19)
InChIKeyOREKIYXVKLZSOA-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.57
Rot. Bonds3

About 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one

6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one (PubChem CID 11681324) has the molecular formula C16H23NO4Si and a molecular weight of 321.45 g/mol. Its IUPAC name is 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one
PubChem CID11681324
Molecular FormulaC16H23NO4Si
Molecular Weight321.45 g/mol
Exact Mass321.14
IUPAC Name6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)NC(=O)C(O[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C16H23NO4Si/c1-10(18)11-7-8-13-12(9-11)17-14(19)15(20-13)21-22(5,6)16(2,3)4/h7-9,15H,1-6H3,(H,17,19)
InChIKeyOREKIYXVKLZSOA-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one (CID 11681324) is 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)NC(=O)C(O[Si](C)(C)C(C)(C)C)O2.
What is the InChIKey of 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
The InChIKey is OREKIYXVKLZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4Si/c1-10(18)11-7-8-13-12(9-11)17-14(19)15(20-13)21-22(5,6)16(2,3)4/h7-9,15H,1-6H3,(H,17,19).
What are the key properties of 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one has a molecular weight of 321.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11681324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).