(3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane

C21H36Si2 — CID 101212825

About (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane

(3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane (PubChem CID 101212825) has the molecular formula C21H36Si2 and a molecular weight of 344.69 g/mol. Its IUPAC name is (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane.

Molecular Properties

• Compound Name: (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane
• PubChem CID: 101212825
• Molecular Formula: C21H36Si2
• Molecular Weight: 344.69 g/mol
• Exact Mass: 344.24
• IUPAC Name: (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane
• SMILES: CC(C)(C)C(=C=C(C#C[Si](C)(C)C)C(C)(C)C)C#C[Si](C)(C)C
• InChI: InChI=1S/C21H36Si2/c1-20(2,3)18(13-15-22(7,8)9)17-19(21(4,5)6)14-16-23(10,11)12/h1-12H3
• InChIKey: PYSRLGYAZCZEFF-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 0.00 Ų
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.69
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane?

The IUPAC name of (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane (CID 101212825) is (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane.

What is the SMILES notation for (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane?

The canonical SMILES for (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane is CC(C)(C)C(=C=C(C#C[Si](C)(C)C)C(C)(C)C)C#C[Si](C)(C)C.

What is the InChIKey of (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane?

The InChIKey is PYSRLGYAZCZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36Si2/c1-20(2,3)18(13-15-22(7,8)9)17-19(21(4,5)6)14-16-23(10,11)12/h1-12H3.

What are the key properties of (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane?

(3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane has a molecular weight of 344.69 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-trimethylsilane is sourced from PubChem (CID 101212825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).