3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane

C54H104O10Si4 — CID 159496428

About 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane

3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane (PubChem CID 159496428) has the molecular formula C54H104O10Si4 and a molecular weight of 1025.76 g/mol. Its IUPAC name is 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane.

Molecular Properties

• Compound Name: 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane
• PubChem CID: 159496428
• Molecular Formula: C54H104O10Si4
• Molecular Weight: 1025.76 g/mol
• Exact Mass: 1024.67
• IUPAC Name: 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane
• SMILES: C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)C(C=C)O[Si](C)(C)C(C)(C)C.C=CC(OC(=O)C(C)(C)C)[C@H](OCCCOC(=O)C(C)(C)C)[C@H]1CO1.CC#C[Si](C)(C)C
• InChI: InChI=1S/C29H60O4Si3.C19H32O6.C6H12Si/c1-18-21-25(33-36(16,17)29(9,10)11)26(24(19-2)32-35(14,15)28(6,7)8)30-22-20-23-31-34(12,13)27(3,4)5;1-8-13(25-17(21)19(5,6)7)15(14-12-24-14)22-10-9-11-23-16(20)18(2,3)4;1-5-6-7(2,3)4/h1,19,24-26H,2,20-23H2,3-17H3;8,13-15H,1,9-12H2,2-7H3;1-4H3/t24?,25-,26+;13?,14-,15+;/m11./s1
• InChIKey: LYVNPMGUCPKAHM-KYYGKLIVSA-N
• XLogP: 13.55
• TPSA: 111.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.76
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane?

The IUPAC name of 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane (CID 159496428) is 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane.

What is the SMILES notation for 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane?

The canonical SMILES for 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)C(C=C)O[Si](C)(C)C(C)(C)C.C=CC(OC(=O)C(C)(C)C)[C@H](OCCCOC(=O)C(C)(C)C)[C@H]1CO1.CC#C[Si](C)(C)C.

What is the InChIKey of 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane?

The InChIKey is LYVNPMGUCPKAHM-KYYGKLIVSA-N. The full InChI is InChI=1S/C29H60O4Si3.C19H32O6.C6H12Si/c1-18-21-25(33-36(16,17)29(9,10)11)26(24(19-2)32-35(14,15)28(6,7)8)30-22-20-23-31-34(12,13)27(3,4)5;1-8-13(25-17(21)19(5,6)7)15(14-12-24-14)22-10-9-11-23-16(20)18(2,3)4;1-5-6-7(2,3)4/h1,19,24-26H,2,20-23H2,3-17H3;8,13-15H,1,9-12H2,2-7H3;1-4H3/t24?,25-,26+;13?,14-,15+;/m11./s1.

What are the key properties of 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane?

3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane has a molecular weight of 1025.76 g/mol, XLogP of 13.55, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane is sourced from PubChem (CID 159496428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).