tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane

C19H40O2Si2 — CID 10713310

About tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane (PubChem CID 10713310) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane
• PubChem CID: 10713310
• Molecular Formula: C19H40O2Si2
• Molecular Weight: 356.70 g/mol
• Exact Mass: 356.26
• IUPAC Name: tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane
• SMILES: CO/C=C/CCC(/C=C(\C)C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H40O2Si2/c1-17(16-22(6,7)8)15-18(13-11-12-14-20-5)21-23(9,10)19(2,3)4/h12,14-15,18H,11,13,16H2,1-10H3/b14-12+,17-15+
• InChIKey: VOHZYTGVACECLC-FAHPUHHFSA-N
• XLogP: 6.60
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.70
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', '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 tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane (CID 10713310) is tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane is CO/C=C/CCC(/C=C(\C)C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane?

The InChIKey is VOHZYTGVACECLC-FAHPUHHFSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-17(16-22(6,7)8)15-18(13-11-12-14-20-5)21-23(9,10)19(2,3)4/h12,14-15,18H,11,13,16H2,1-10H3/b14-12+,17-15+.

What are the key properties of tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane?

tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E,7E)-8-methoxy-2-methyl-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 10713310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).