tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane

C25H50O2Si2 — CID 57237671

About tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane

tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane (PubChem CID 57237671) has the molecular formula C25H50O2Si2 and a molecular weight of 438.85 g/mol. Its IUPAC name is tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane
• PubChem CID: 57237671
• Molecular Formula: C25H50O2Si2
• Molecular Weight: 438.85 g/mol
• Exact Mass: 438.33
• IUPAC Name: tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCCCCCCC=C[C@]1(O[Si](C)(C)C(C)(C)C)C=CCC1
• InChI: InChI=1S/C25H50O2Si2/c1-23(2,3)28(7,8)26-22-18-14-12-11-13-15-19-25(20-16-17-21-25)27-29(9,10)24(4,5)6/h15-16,19-20H,11-14,17-18,21-22H2,1-10H3/t25-/m0/s1
• InChIKey: LIEZTXZAGPXWNV-VWLOTQADSA-N
• XLogP: 8.63
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.85
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane (CID 57237671) is tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCC=C[C@]1(O[Si](C)(C)C(C)(C)C)C=CCC1.

What is the InChIKey of tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane?

The InChIKey is LIEZTXZAGPXWNV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H50O2Si2/c1-23(2,3)28(7,8)26-22-18-14-12-11-13-15-19-25(20-16-17-21-25)27-29(9,10)24(4,5)6/h15-16,19-20H,11-14,17-18,21-22H2,1-10H3/t25-/m0/s1.

What are the key properties of tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane?

tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane has a molecular weight of 438.85 g/mol, XLogP of 8.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oct-7-enoxy]-dimethylsilane is sourced from PubChem (CID 57237671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).