benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate

C37H38N2O5Si — CID 142544416

About benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate

benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate (PubChem CID 142544416) has the molecular formula C37H38N2O5Si and a molecular weight of 618.81 g/mol. Its IUPAC name is benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate
• PubChem CID: 142544416
• Molecular Formula: C37H38N2O5Si
• Molecular Weight: 618.81 g/mol
• Exact Mass: 618.25
• IUPAC Name: benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate
• SMILES: CC(C)(C)[Si](OC1CC(N2C(=O)c3ccccc3C2=O)CC1NC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C37H38N2O5Si/c1-37(2,3)45(28-17-9-5-10-18-28,29-19-11-6-12-20-29)44-33-24-27(39-34(40)30-21-13-14-22-31(30)35(39)41)23-32(33)38-36(42)43-25-26-15-7-4-8-16-26/h4-22,27,32-33H,23-25H2,1-3H3,(H,38,42)
• InChIKey: WKVKXBPVTNBYJT-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.81
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate?

The IUPAC name of benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate (CID 142544416) is benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate.

What is the SMILES notation for benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate?

The canonical SMILES for benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate is CC(C)(C)[Si](OC1CC(N2C(=O)c3ccccc3C2=O)CC1NC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate?

The InChIKey is WKVKXBPVTNBYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O5Si/c1-37(2,3)45(28-17-9-5-10-18-28,29-19-11-6-12-20-29)44-33-24-27(39-34(40)30-21-13-14-22-31(30)35(39)41)23-32(33)38-36(42)43-25-26-15-7-4-8-16-26/h4-22,27,32-33H,23-25H2,1-3H3,(H,38,42).

What are the key properties of benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate?

benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate has a molecular weight of 618.81 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate is sourced from PubChem (CID 142544416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).