tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane

C25H52O2Si3 — CID 11488207

About tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 11488207) has the molecular formula C25H52O2Si3 and a molecular weight of 468.95 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane
• PubChem CID: 11488207
• Molecular Formula: C25H52O2Si3
• Molecular Weight: 468.95 g/mol
• Exact Mass: 468.33
• IUPAC Name: tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane
• SMILES: CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C=C([Si](C)(C)C)[C@@H]1/C=C/CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H52O2Si3/c1-23(2,3)29(12,13)26-18-16-17-20-21(28(9,10)11)19-22(25(20,7)8)27-30(14,15)24(4,5)6/h16-17,19-20,22H,18H2,1-15H3/b17-16+/t20-,22-/m0/s1
• InChIKey: XZCJYVQHSSXISB-QDAJVUCBSA-N
• XLogP: 8.41
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.95
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane (CID 11488207) is tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane is CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C=C([Si](C)(C)C)[C@@H]1/C=C/CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane?

The InChIKey is XZCJYVQHSSXISB-QDAJVUCBSA-N. The full InChI is InChI=1S/C25H52O2Si3/c1-23(2,3)29(12,13)26-18-16-17-20-21(28(9,10)11)19-22(25(20,7)8)27-30(14,15)24(4,5)6/h16-17,19-20,22H,18H2,1-15H3/b17-16+/t20-,22-/m0/s1.

What are the key properties of tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane?

tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 468.95 g/mol, XLogP of 8.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11488207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).