triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane

C22H46O4Si2 — CID 51050719

About triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane

triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane (PubChem CID 51050719) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane.

Molecular Properties

• Compound Name: triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane
• PubChem CID: 51050719
• Molecular Formula: C22H46O4Si2
• Molecular Weight: 430.78 g/mol
• Exact Mass: 430.29
• IUPAC Name: triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane
• SMILES: C/C=C(\O[Si](C)(C)C)[C@H](OC)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/CCCOC
• InChI: InChI=1S/C22H46O4Si2/c1-11-20(25-27(8,9)10)22(24-7)21(19(5)17-15-16-18-23-6)26-28(12-2,13-3)14-4/h11,17,21-22H,12-16,18H2,1-10H3/b19-17+,20-11-/t21-,22-/m0/s1
• InChIKey: BVQVZQUDUCAJOZ-IRRWDCEMSA-N
• XLogP: 6.52
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.78
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane?

The IUPAC name of triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane (CID 51050719) is triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane.

What is the SMILES notation for triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane?

The canonical SMILES for triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane is C/C=C(\O[Si](C)(C)C)[C@H](OC)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/CCCOC.

What is the InChIKey of triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane?

The InChIKey is BVQVZQUDUCAJOZ-IRRWDCEMSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-11-20(25-27(8,9)10)22(24-7)21(19(5)17-15-16-18-23-6)26-28(12-2,13-3)14-4/h11,17,21-22H,12-16,18H2,1-10H3/b19-17+,20-11-/t21-,22-/m0/s1.

What are the key properties of triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane?

triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane has a molecular weight of 430.78 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane is sourced from PubChem (CID 51050719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).