tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane

C24H46OSi2 — CID 11729209

About tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane

tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane (PubChem CID 11729209) has the molecular formula C24H46OSi2 and a molecular weight of 406.80 g/mol. Its IUPAC name is tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane
• PubChem CID: 11729209
• Molecular Formula: C24H46OSi2
• Molecular Weight: 406.80 g/mol
• Exact Mass: 406.31
• IUPAC Name: tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane
• SMILES: CC1=C[C@@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1CCC#C[Si](C)(C)C
• InChI: InChI=1S/C24H46OSi2/c1-20-16-21(17-22(20)14-12-13-15-26(7,8)9)18-24(5,6)19-25-27(10,11)23(2,3)4/h16,21-22H,12,14,17-19H2,1-11H3/t21-,22+/m1/s1
• InChIKey: ACFKGLDCDYBUBQ-YADHBBJMSA-N
• XLogP: 7.67
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.80
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane (CID 11729209) is tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane is CC1=C[C@@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1CCC#C[Si](C)(C)C.

What is the InChIKey of tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane?

The InChIKey is ACFKGLDCDYBUBQ-YADHBBJMSA-N. The full InChI is InChI=1S/C24H46OSi2/c1-20-16-21(17-22(20)14-12-13-15-26(7,8)9)18-24(5,6)19-25-27(10,11)23(2,3)4/h16,21-22H,12,14,17-19H2,1-11H3/t21-,22+/m1/s1.

What are the key properties of tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane?

tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane has a molecular weight of 406.80 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2,2-dimethyl-3-[(1R,4S)-3-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 11729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).