tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate

C35H53NO6Si — CID 11215648

About tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate (PubChem CID 11215648) has the molecular formula C35H53NO6Si and a molecular weight of 611.90 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate
• PubChem CID: 11215648
• Molecular Formula: C35H53NO6Si
• Molecular Weight: 611.90 g/mol
• Exact Mass: 611.36
• IUPAC Name: tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)CCCCCC1(C)OCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C35H53NO6Si/c1-33(2,3)42-32(38)36-28(22-23-29(37)17-11-10-16-24-35(7)39-25-26-40-35)27-41-43(34(4,5)6,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h8-9,12-15,18-21,28H,10-11,16-17,22-27H2,1-7H3,(H,36,38)/t28-/m0/s1
• InChIKey: IVUXNQLUQCVMEY-NDEPHWFRSA-N
• XLogP: 6.52
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.90
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate (CID 11215648) is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCC(=O)CCCCCC1(C)OCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate?

The InChIKey is IVUXNQLUQCVMEY-NDEPHWFRSA-N. The full InChI is InChI=1S/C35H53NO6Si/c1-33(2,3)42-32(38)36-28(22-23-29(37)17-11-10-16-24-35(7)39-25-26-40-35)27-41-43(34(4,5)6,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h8-9,12-15,18-21,28H,10-11,16-17,22-27H2,1-7H3,(H,36,38)/t28-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate?

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate has a molecular weight of 611.90 g/mol, XLogP of 6.52, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate is sourced from PubChem (CID 11215648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).