tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane

C29H58O4Si2 — CID 12692820

About tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 12692820) has the molecular formula C29H58O4Si2 and a molecular weight of 526.95 g/mol. Its IUPAC name is tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
• PubChem CID: 12692820
• Molecular Formula: C29H58O4Si2
• Molecular Weight: 526.95 g/mol
• Exact Mass: 526.39
• IUPAC Name: tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(OC2CCCCO2)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C29H58O4Si2/c1-28(2,3)34(7,8)31-21-16-13-11-12-14-18-24-22-25(32-27-19-15-17-20-30-27)23-26(24)33-35(9,10)29(4,5)6/h22,25-27H,11-21,23H2,1-10H3
• InChIKey: RUCMXIACCFIBAI-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.95
LogP ≤ 5	8.98
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 12692820) is tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(OC2CCCCO2)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?

The InChIKey is RUCMXIACCFIBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O4Si2/c1-28(2,3)34(7,8)31-21-16-13-11-12-14-18-24-22-25(32-27-19-15-17-20-30-27)23-26(24)33-35(9,10)29(4,5)6/h22,25-27H,11-21,23H2,1-10H3.

What are the key properties of tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?

tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 526.95 g/mol, XLogP of 8.98, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 12692820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).