2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate

C23H48O5Si3 — CID 71583229

About 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate

2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate (PubChem CID 71583229) has the molecular formula C23H48O5Si3 and a molecular weight of 488.89 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate
• PubChem CID: 71583229
• Molecular Formula: C23H48O5Si3
• Molecular Weight: 488.89 g/mol
• Exact Mass: 488.28
• IUPAC Name: 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)OC=C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H48O5Si3/c1-22(2,3)30(10,11)27-18-14-15-25-20(21(24)26-16-17-29(7,8)9)19(18)28-31(12,13)23(4,5)6/h14-15,18-20H,16-17H2,1-13H3/t18-,19+,20+/m1/s1
• InChIKey: BDVJHVCGTNYHFB-AABGKKOBSA-N
• XLogP: 6.56
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.89
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate?

The IUPAC name of 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate (CID 71583229) is 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate.

What is the SMILES notation for 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate?

The canonical SMILES for 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)OC=C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate?

The InChIKey is BDVJHVCGTNYHFB-AABGKKOBSA-N. The full InChI is InChI=1S/C23H48O5Si3/c1-22(2,3)30(10,11)27-18-14-15-25-20(21(24)26-16-17-29(7,8)9)19(18)28-31(12,13)23(4,5)6/h14-15,18-20H,16-17H2,1-13H3/t18-,19+,20+/m1/s1.

What are the key properties of 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate?

2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate has a molecular weight of 488.89 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 71583229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).