tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane

C28H52O2Si2 — CID 102069976

About tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane (PubChem CID 102069976) has the molecular formula C28H52O2Si2 and a molecular weight of 476.89 g/mol. Its IUPAC name is tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane
• PubChem CID: 102069976
• Molecular Formula: C28H52O2Si2
• Molecular Weight: 476.89 g/mol
• Exact Mass: 476.35
• IUPAC Name: tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane
• SMILES: CC1(O[Si](C)(C)C(C)(C)C)CC#CCCCCC#CCC(C)(O[Si](C)(C)C(C)(C)C)CC1
• InChI: InChI=1S/C28H52O2Si2/c1-25(2,3)31(9,10)29-27(7)21-19-17-15-13-14-16-18-20-22-28(8,24-23-27)30-32(11,12)26(4,5)6/h13-16,21-24H2,1-12H3
• InChIKey: IFJZDHCKQCWSHX-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.89
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane (CID 102069976) is tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane is CC1(O[Si](C)(C)C(C)(C)C)CC#CCCCCC#CCC(C)(O[Si](C)(C)C(C)(C)C)CC1.

What is the InChIKey of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane?

The InChIKey is IFJZDHCKQCWSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2Si2/c1-25(2,3)31(9,10)29-27(7)21-19-17-15-13-14-16-18-20-22-28(8,24-23-27)30-32(11,12)26(4,5)6/h13-16,21-24H2,1-12H3.

What are the key properties of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane?

tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 476.89 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-3,9-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102069976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).