tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane

C44H58O7Si — CID 178166627

About tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane

tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane (PubChem CID 178166627) has the molecular formula C44H58O7Si and a molecular weight of 727.03 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
• PubChem CID: 178166627
• Molecular Formula: C44H58O7Si
• Molecular Weight: 727.03 g/mol
• Exact Mass: 726.40
• IUPAC Name: tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
• SMILES: CC(C)(C)[Si](C)(C)OCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C44H58O7Si/c1-44(2,3)52(4,5)50-29-19-18-28-46-43-42(49-33-38-26-16-9-17-27-38)41(48-32-37-24-14-8-15-25-37)40(47-31-36-22-12-7-13-23-36)39(51-43)34-45-30-35-20-10-6-11-21-35/h6-17,20-27,39-43H,18-19,28-34H2,1-5H3/t39-,40+,41+,42-,43-/m1/s1
• InChIKey: UZXKXSHBPDXXFU-XJIHQHRMSA-N
• XLogP: 9.50
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.03
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane (CID 178166627) is tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane is CC(C)(C)[Si](C)(C)OCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane?

The InChIKey is UZXKXSHBPDXXFU-XJIHQHRMSA-N. The full InChI is InChI=1S/C44H58O7Si/c1-44(2,3)52(4,5)50-29-19-18-28-46-43-42(49-33-38-26-16-9-17-27-38)41(48-32-37-24-14-8-15-25-37)40(47-31-36-22-12-7-13-23-36)39(51-43)34-45-30-35-20-10-6-11-21-35/h6-17,20-27,39-43H,18-19,28-34H2,1-5H3/t39-,40+,41+,42-,43-/m1/s1.

What are the key properties of tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane?

tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane has a molecular weight of 727.03 g/mol, XLogP of 9.50, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane is sourced from PubChem (CID 178166627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).