tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane

C28H52O4Si2 — CID 134983517

About tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane (PubChem CID 134983517) has the molecular formula C28H52O4Si2 and a molecular weight of 508.89 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane
• PubChem CID: 134983517
• Molecular Formula: C28H52O4Si2
• Molecular Weight: 508.89 g/mol
• Exact Mass: 508.34
• IUPAC Name: tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane
• SMILES: C=CC1=CCC[C@@]1(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=C)O[Si](CC)(CC)CC
• InChI: InChI=1S/C28H52O4Si2/c1-13-22-19-18-20-28(22,32-34(15-3,16-4)17-5)21-24(31-33(11,12)26(6,7)8)25-23(14-2)29-27(9,10)30-25/h13-14,19,23-25H,1-2,15-18,20-21H2,3-12H3/t23-,24+,25-,28+/m1/s1
• InChIKey: ZLRHICJTPOTARE-JHXDXHAQSA-N
• XLogP: 8.14
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.89
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane (CID 134983517) is tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane is C=CC1=CCC[C@@]1(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=C)O[Si](CC)(CC)CC.

What is the InChIKey of tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane?

The InChIKey is ZLRHICJTPOTARE-JHXDXHAQSA-N. The full InChI is InChI=1S/C28H52O4Si2/c1-13-22-19-18-20-28(22,32-34(15-3,16-4)17-5)21-24(31-33(11,12)26(6,7)8)25-23(14-2)29-27(9,10)30-25/h13-14,19,23-25H,1-2,15-18,20-21H2,3-12H3/t23-,24+,25-,28+/m1/s1.

What are the key properties of tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane?

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane has a molecular weight of 508.89 g/mol, XLogP of 8.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 134983517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).