trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane

C27H52O5Si — CID 90251229

About trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane

trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane (PubChem CID 90251229) has the molecular formula C27H52O5Si and a molecular weight of 484.79 g/mol. Its IUPAC name is trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane
• PubChem CID: 90251229
• Molecular Formula: C27H52O5Si
• Molecular Weight: 484.79 g/mol
• Exact Mass: 484.36
• IUPAC Name: trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane
• SMILES: CCCCOC[C@H]1O[C@H](C#C[Si](C)(C)C)[C@H](OCCCC)[C@@H](OCCCC)[C@@H]1OCCCC
• InChI: InChI=1S/C27H52O5Si/c1-8-12-17-28-22-24-26(30-19-14-10-3)27(31-20-15-11-4)25(29-18-13-9-2)23(32-24)16-21-33(5,6)7/h23-27H,8-15,17-20,22H2,1-7H3/t23-,24-,25+,26-,27-/m1/s1
• InChIKey: CHHCGNSMVVNPRW-IURCNINISA-N
• XLogP: 6.01
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.79
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane?

The IUPAC name of trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane (CID 90251229) is trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane.

What is the SMILES notation for trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane?

The canonical SMILES for trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane is CCCCOC[C@H]1O[C@H](C#C[Si](C)(C)C)[C@H](OCCCC)[C@@H](OCCCC)[C@@H]1OCCCC.

What is the InChIKey of trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane?

The InChIKey is CHHCGNSMVVNPRW-IURCNINISA-N. The full InChI is InChI=1S/C27H52O5Si/c1-8-12-17-28-22-24-26(30-19-14-10-3)27(31-20-15-11-4)25(29-18-13-9-2)23(32-24)16-21-33(5,6)7/h23-27H,8-15,17-20,22H2,1-7H3/t23-,24-,25+,26-,27-/m1/s1.

What are the key properties of trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane?

trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane has a molecular weight of 484.79 g/mol, XLogP of 6.01, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane is sourced from PubChem (CID 90251229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).