7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one

C25H33NO3Si — CID 73292836

IUPAC7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
SMILESCC(C)(C)[Si](OCCC1CCC2CCOC(=O)N21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO3Si/c1-25(2,3)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)29-19-17-21-15-14-20-16-18-28-24(27)26(20)21/h4-13,20-21H,14-19H2,1-3H3
InChIKeyBDOHGQJFYOHOLE-UHFFFAOYSA-N
MW423.63 g/mol
LogP4.33
Rot. Bonds6

About 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one

7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one (PubChem CID 73292836) has the molecular formula C25H33NO3Si and a molecular weight of 423.63 g/mol. Its IUPAC name is 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one.

Molecular Properties

Compound Name7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
PubChem CID73292836
Molecular FormulaC25H33NO3Si
Molecular Weight423.63 g/mol
Exact Mass423.22
IUPAC Name7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
SMILESCC(C)(C)[Si](OCCC1CCC2CCOC(=O)N21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO3Si/c1-25(2,3)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)29-19-17-21-15-14-20-16-18-28-24(27)26(20)21/h4-13,20-21H,14-19H2,1-3H3
InChIKeyBDOHGQJFYOHOLE-UHFFFAOYSA-N
XLogP4.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 54.33
H-Bond Donors ≤ 50
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 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
The IUPAC name of 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one (CID 73292836) is 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one.
What is the SMILES notation for 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
The canonical SMILES for 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one is CC(C)(C)[Si](OCCC1CCC2CCOC(=O)N21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
The InChIKey is BDOHGQJFYOHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3Si/c1-25(2,3)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)29-19-17-21-15-14-20-16-18-28-24(27)26(20)21/h4-13,20-21H,14-19H2,1-3H3.
What are the key properties of 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one has a molecular weight of 423.63 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one is sourced from PubChem (CID 73292836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).