tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

C22H42O4Si2 — CID 139787655

About tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 139787655) has the molecular formula C22H42O4Si2 and a molecular weight of 426.75 g/mol. Its IUPAC name is tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
• PubChem CID: 139787655
• Molecular Formula: C22H42O4Si2
• Molecular Weight: 426.75 g/mol
• Exact Mass: 426.26
• IUPAC Name: tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
• SMILES: CCOC(C)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCC#C[Si](C)(C)C
• InChI: InChI=1S/C22H42O4Si2/c1-11-24-18(2)25-21-16-20(26-28(9,10)22(3,4)5)15-19(21)17-23-13-12-14-27(6,7)8/h15,18,20-21H,11,13,16-17H2,1-10H3/t18?,20-,21?/m0/s1
• InChIKey: XBWROLWFDKOOIG-CKHPTIKVSA-N
• XLogP: 5.37
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.75
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 139787655) is tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is CCOC(C)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCC#C[Si](C)(C)C.

What is the InChIKey of tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?

The InChIKey is XBWROLWFDKOOIG-CKHPTIKVSA-N. The full InChI is InChI=1S/C22H42O4Si2/c1-11-24-18(2)25-21-16-20(26-28(9,10)22(3,4)5)15-19(21)17-23-13-12-14-27(6,7)8/h15,18,20-21H,11,13,16-17H2,1-10H3/t18?,20-,21?/m0/s1.

What are the key properties of tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?

tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 426.75 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R)-4-(1-ethoxyethoxy)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 139787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).