8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one

C24H25NO3Si — CID 140959904

IUPAC8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one
SMILESCC(C)(C)[Si](Oc1cccc2c1OCC(=O)N2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3Si/c1-24(2,3)29(18-11-6-4-7-12-18,19-13-8-5-9-14-19)28-21-16-10-15-20-23(21)27-17-22(26)25-20/h4-16H,17H2,1-3H3,(H,25,26)
InChIKeyUQMNHIYSGRKGSD-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.96
Rot. Bonds4

About 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one

8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one (PubChem CID 140959904) has the molecular formula C24H25NO3Si and a molecular weight of 403.55 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one
PubChem CID140959904
Molecular FormulaC24H25NO3Si
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one
SMILESCC(C)(C)[Si](Oc1cccc2c1OCC(=O)N2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3Si/c1-24(2,3)29(18-11-6-4-7-12-18,19-13-8-5-9-14-19)28-21-16-10-15-20-23(21)27-17-22(26)25-20/h4-16H,17H2,1-3H3,(H,25,26)
InChIKeyUQMNHIYSGRKGSD-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one (CID 140959904) is 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one is CC(C)(C)[Si](Oc1cccc2c1OCC(=O)N2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
The InChIKey is UQMNHIYSGRKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3Si/c1-24(2,3)29(18-11-6-4-7-12-18,19-13-8-5-9-14-19)28-21-16-10-15-20-23(21)27-17-22(26)25-20/h4-16H,17H2,1-3H3,(H,25,26).
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one?
8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one has a molecular weight of 403.55 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 140959904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).