tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane

C23H47IO3Si2 — CID 134846498

About tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane (PubChem CID 134846498) has the molecular formula C23H47IO3Si2 and a molecular weight of 554.70 g/mol. Its IUPAC name is tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane
• PubChem CID: 134846498
• Molecular Formula: C23H47IO3Si2
• Molecular Weight: 554.70 g/mol
• Exact Mass: 554.21
• IUPAC Name: tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane
• SMILES: C/C(=C/I)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]1C
• InChI: InChI=1S/C23H47IO3Si2/c1-17(16-24)20-18(2)19(14-15-25-28(12,13)21(3,4)5)26-29(27-20,22(6,7)8)23(9,10)11/h16,18-20H,14-15H2,1-13H3/b17-16-/t18-,19-,20-/m0/s1
• InChIKey: FXWHUYZSTXSMBE-UTYYPCBTSA-N
• XLogP: 8.20
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.70
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane (CID 134846498) is tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane is C/C(=C/I)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]1C.

What is the InChIKey of tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane?

The InChIKey is FXWHUYZSTXSMBE-UTYYPCBTSA-N. The full InChI is InChI=1S/C23H47IO3Si2/c1-17(16-24)20-18(2)19(14-15-25-28(12,13)21(3,4)5)26-29(27-20,22(6,7)8)23(9,10)11/h16,18-20H,14-15H2,1-13H3/b17-16-/t18-,19-,20-/m0/s1.

What are the key properties of tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane?

tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane has a molecular weight of 554.70 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 134846498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).