tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane

C22H48O3Si3 — CID 56970728

About tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane

tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane (PubChem CID 56970728) has the molecular formula C22H48O3Si3 and a molecular weight of 444.88 g/mol. Its IUPAC name is tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane
• PubChem CID: 56970728
• Molecular Formula: C22H48O3Si3
• Molecular Weight: 444.88 g/mol
• Exact Mass: 444.29
• IUPAC Name: tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane
• SMILES: CC[Si](CC)(CC)OCC1=CC[C@@H](CCCO[Si](C)(C)C(C)(C)C)O[Si]1(C)C
• InChI: InChI=1S/C22H48O3Si3/c1-11-28(12-2,13-3)24-19-21-17-16-20(25-26(21,7)8)15-14-18-23-27(9,10)22(4,5)6/h17,20H,11-16,18-19H2,1-10H3/t20-/m1/s1
• InChIKey: HREWKLMDONKEPU-HXUWFJFHSA-N
• XLogP: 7.27
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.88
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane (CID 56970728) is tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane is CC[Si](CC)(CC)OCC1=CC[C@@H](CCCO[Si](C)(C)C(C)(C)C)O[Si]1(C)C.

What is the InChIKey of tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane?

The InChIKey is HREWKLMDONKEPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H48O3Si3/c1-11-28(12-2,13-3)24-19-21-17-16-20(25-26(21,7)8)15-14-18-23-27(9,10)22(4,5)6/h17,20H,11-16,18-19H2,1-10H3/t20-/m1/s1.

What are the key properties of tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane?

tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane has a molecular weight of 444.88 g/mol, XLogP of 7.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 56970728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).