4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane

C20H38O2Si2 — CID 11233930

About 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane

4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane (PubChem CID 11233930) has the molecular formula C20H38O2Si2 and a molecular weight of 366.69 g/mol. Its IUPAC name is 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane.

Molecular Properties

• Compound Name: 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane
• PubChem CID: 11233930
• Molecular Formula: C20H38O2Si2
• Molecular Weight: 366.69 g/mol
• Exact Mass: 366.24
• IUPAC Name: 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane
• SMILES: CC[Si](CC)(CC)OC1=C[C@@H](C)O[C@@H](CCC#C[Si](C)(C)C)[C@H]1C
• InChI: InChI=1S/C20H38O2Si2/c1-9-24(10-2,11-3)22-20-16-17(4)21-19(18(20)5)14-12-13-15-23(6,7)8/h16-19H,9-12,14H2,1-8H3/t17-,18-,19+/m1/s1
• InChIKey: IACJSUUZFXVPJZ-QRVBRYPASA-N
• XLogP: 5.98
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.69
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?

The IUPAC name of 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane (CID 11233930) is 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane.

What is the SMILES notation for 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?

The canonical SMILES for 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane is CC[Si](CC)(CC)OC1=C[C@@H](C)O[C@@H](CCC#C[Si](C)(C)C)[C@H]1C.

What is the InChIKey of 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?

The InChIKey is IACJSUUZFXVPJZ-QRVBRYPASA-N. The full InChI is InChI=1S/C20H38O2Si2/c1-9-24(10-2,11-3)22-20-16-17(4)21-19(18(20)5)14-12-13-15-23(6,7)8/h16-19H,9-12,14H2,1-8H3/t17-,18-,19+/m1/s1.

What are the key properties of 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?

4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane has a molecular weight of 366.69 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane is sourced from PubChem (CID 11233930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).