[(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane

C40H53NO4Si2 — CID 10995981

About [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane

[(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane (PubChem CID 10995981) has the molecular formula C40H53NO4Si2 and a molecular weight of 668.04 g/mol. Its IUPAC name is [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane.

Molecular Properties

• Compound Name: [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane
• PubChem CID: 10995981
• Molecular Formula: C40H53NO4Si2
• Molecular Weight: 668.04 g/mol
• Exact Mass: 667.35
• IUPAC Name: [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane
• SMILES: CC[Si](CC)(CC)OCC[C@H]1O[C@@H](/C(C)=C/c2coc(C)n2)[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1C
• InChI: InChI=1S/C40H53NO4Si2/c1-8-46(9-2,10-3)43-27-26-38-31(5)40(32(6)39(44-38)30(4)28-34-29-42-33(7)41-34)45-47(35-20-14-11-15-21-35,36-22-16-12-17-23-36)37-24-18-13-19-25-37/h11-25,28-29,31-32,38-40H,8-10,26-27H2,1-7H3/b30-28+/t31-,32-,38+,39-,40-/m0/s1
• InChIKey: BWZGJRPIZJFYKF-TWVNKXILSA-N
• XLogP: 7.89
• TPSA: 53.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.04
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane?

The IUPAC name of [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane (CID 10995981) is [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane.

What is the SMILES notation for [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane?

The canonical SMILES for [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane is CC[Si](CC)(CC)OCC[C@H]1O[C@@H](/C(C)=C/c2coc(C)n2)[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1C.

What is the InChIKey of [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane?

The InChIKey is BWZGJRPIZJFYKF-TWVNKXILSA-N. The full InChI is InChI=1S/C40H53NO4Si2/c1-8-46(9-2,10-3)43-27-26-38-31(5)40(32(6)39(44-38)30(4)28-34-29-42-33(7)41-34)45-47(35-20-14-11-15-21-35,36-22-16-12-17-23-36)37-24-18-13-19-25-37/h11-25,28-29,31-32,38-40H,8-10,26-27H2,1-7H3/b30-28+/t31-,32-,38+,39-,40-/m0/s1.

What are the key properties of [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane?

[(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane has a molecular weight of 668.04 g/mol, XLogP of 7.89, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5S,6R)-3,5-dimethyl-2-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-6-(2-triethylsilyloxyethyl)oxan-4-yl]oxy-triphenylsilane is sourced from PubChem (CID 10995981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).