triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane

C26H48O3Si2 — CID 135066673

About triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane

triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane (PubChem CID 135066673) has the molecular formula C26H48O3Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane.

Molecular Properties

• Compound Name: triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane
• PubChem CID: 135066673
• Molecular Formula: C26H48O3Si2
• Molecular Weight: 464.84 g/mol
• Exact Mass: 464.31
• IUPAC Name: triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane
• SMILES: C=CC/C(=C\C(C#CCOC1CCCCO1)O[Si](CC)(CC)CC)[Si](CC)(CC)CC
• InChI: InChI=1S/C26H48O3Si2/c1-8-18-25(30(9-2,10-3)11-4)23-24(29-31(12-5,13-6)14-7)19-17-22-28-26-20-15-16-21-27-26/h8,23-24,26H,1,9-16,18,20-22H2,2-7H3/b25-23+
• InChIKey: HOXSFQNGHSIGHS-WJTDDFOZSA-N
• XLogP: 7.47
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.84
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane?

The IUPAC name of triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane (CID 135066673) is triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane.

What is the SMILES notation for triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane?

The canonical SMILES for triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane is C=CC/C(=C\C(C#CCOC1CCCCO1)O[Si](CC)(CC)CC)[Si](CC)(CC)CC.

What is the InChIKey of triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane?

The InChIKey is HOXSFQNGHSIGHS-WJTDDFOZSA-N. The full InChI is InChI=1S/C26H48O3Si2/c1-8-18-25(30(9-2,10-3)11-4)23-24(29-31(12-5,13-6)14-7)19-17-22-28-26-20-15-16-21-27-26/h8,23-24,26H,1,9-16,18,20-22H2,2-7H3/b25-23+.

What are the key properties of triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane?

triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane has a molecular weight of 464.84 g/mol, XLogP of 7.47, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane is sourced from PubChem (CID 135066673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).