tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate

C34H42N2O5Si — CID 18433482

About tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 18433482) has the molecular formula C34H42N2O5Si and a molecular weight of 586.81 g/mol. Its IUPAC name is tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate
• PubChem CID: 18433482
• Molecular Formula: C34H42N2O5Si
• Molecular Weight: 586.81 g/mol
• Exact Mass: 586.29
• IUPAC Name: tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCN(C2CCOc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc32)C1=O
• InChI: InChI=1S/C34H42N2O5Si/c1-33(2,3)40-32(38)35-28-19-21-36(31(28)37)29-20-22-39-30-18-17-24(23-27(29)30)41-42(34(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,23,28-29H,19-22H2,1-6H3,(H,35,38)
• InChIKey: RKTDQRBUBVTARB-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.81
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 18433482) is tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C2CCOc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc32)C1=O.

What is the InChIKey of tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate?

The InChIKey is RKTDQRBUBVTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O5Si/c1-33(2,3)40-32(38)35-28-19-21-36(31(28)37)29-20-22-39-30-18-17-24(23-27(29)30)41-42(34(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,23,28-29H,19-22H2,1-6H3,(H,35,38).

What are the key properties of tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate?

tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 586.81 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 18433482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).