tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane

C57H65NO5Si — CID 68633242

About tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane

tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane (PubChem CID 68633242) has the molecular formula C57H65NO5Si and a molecular weight of 872.24 g/mol. Its IUPAC name is tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane
• PubChem CID: 68633242
• Molecular Formula: C57H65NO5Si
• Molecular Weight: 872.24 g/mol
• Exact Mass: 871.46
• IUPAC Name: tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane
• SMILES: CCc1ccc(Cc2cn([Si](C)(C)C(C)(C)C)c3ccc([C@@H]4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)cc23)cc1
• InChI: InChI=1S/C57H65NO5Si/c1-7-42-28-30-43(31-29-42)34-49-36-58(64(5,6)57(2,3)4)51-33-32-48(35-50(49)51)53-55(61-39-46-24-16-10-17-25-46)56(62-40-47-26-18-11-19-27-47)54(60-38-45-22-14-9-15-23-45)52(63-53)41-59-37-44-20-12-8-13-21-44/h8-33,35-36,52-56H,7,34,37-41H2,1-6H3/t52-,53+,54-,55+,56+/m1/s1
• InChIKey: XXKMGZBRNZVUGK-UQPIPOSESA-N
• XLogP: 13.06
• TPSA: 51.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.24
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane?

The IUPAC name of tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane (CID 68633242) is tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane is CCc1ccc(Cc2cn([Si](C)(C)C(C)(C)C)c3ccc([C@@H]4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)cc23)cc1.

What is the InChIKey of tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane?

The InChIKey is XXKMGZBRNZVUGK-UQPIPOSESA-N. The full InChI is InChI=1S/C57H65NO5Si/c1-7-42-28-30-43(31-29-42)34-49-36-58(64(5,6)57(2,3)4)51-33-32-48(35-50(49)51)53-55(61-39-46-24-16-10-17-25-46)56(62-40-47-26-18-11-19-27-47)54(60-38-45-22-14-9-15-23-45)52(63-53)41-59-37-44-20-12-8-13-21-44/h8-33,35-36,52-56H,7,34,37-41H2,1-6H3/t52-,53+,54-,55+,56+/m1/s1.

What are the key properties of tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane?

tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane has a molecular weight of 872.24 g/mol, XLogP of 13.06, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[(4-ethylphenyl)methyl]-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-1-yl]-dimethylsilane is sourced from PubChem (CID 68633242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).