2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane

C28H52O2Si2 — CID 102446290

About 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane

2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane (PubChem CID 102446290) has the molecular formula C28H52O2Si2 and a molecular weight of 476.89 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
• PubChem CID: 102446290
• Molecular Formula: C28H52O2Si2
• Molecular Weight: 476.89 g/mol
• Exact Mass: 476.35
• IUPAC Name: 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
• SMILES: CC(C)C(C)(C)[Si](C)(C)OC1C#CCCCCC#CC(O[Si](C)(C)C(C)(C)C(C)C)CC1
• InChI: InChI=1S/C28H52O2Si2/c1-23(2)27(5,6)31(9,10)29-25-19-17-15-13-14-16-18-20-26(22-21-25)30-32(11,12)28(7,8)24(3)4/h23-26H,13-16,21-22H2,1-12H3
• InChIKey: YDFOAAJAXIEDNM-UHFFFAOYSA-N
• XLogP: 8.40
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.89
LogP ≤ 5	8.40
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 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?

The IUPAC name of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane (CID 102446290) is 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane.

What is the SMILES notation for 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?

The canonical SMILES for 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane is CC(C)C(C)(C)[Si](C)(C)OC1C#CCCCCC#CC(O[Si](C)(C)C(C)(C)C(C)C)CC1.

What is the InChIKey of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?

The InChIKey is YDFOAAJAXIEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2Si2/c1-23(2)27(5,6)31(9,10)29-25-19-17-15-13-14-16-18-20-26(22-21-25)30-32(11,12)28(7,8)24(3)4/h23-26H,13-16,21-22H2,1-12H3.

What are the key properties of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?

2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 476.89 g/mol, XLogP of 8.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102446290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).