tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane

C27H52O4Si — CID 11730362

About tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane (PubChem CID 11730362) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
• PubChem CID: 11730362
• Molecular Formula: C27H52O4Si
• Molecular Weight: 468.80 g/mol
• Exact Mass: 468.36
• IUPAC Name: tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
• SMILES: CCCCCCCC/C=C/[C@H]1O[C@@H]1CC[C@@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H52O4Si/c1-9-10-11-12-13-14-15-16-17-22-23(29-22)18-19-24-25(31-27(5,6)30-24)20-21-28-32(7,8)26(2,3)4/h16-17,22-25H,9-15,18-21H2,1-8H3/b17-16+/t22-,23-,24+,25+/m1/s1
• InChIKey: WAIJSVKGBYTCSZ-JSGRDAPOSA-N
• XLogP: 7.77
• TPSA: 40.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.80
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane (CID 11730362) is tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane is CCCCCCCC/C=C/[C@H]1O[C@@H]1CC[C@@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?

The InChIKey is WAIJSVKGBYTCSZ-JSGRDAPOSA-N. The full InChI is InChI=1S/C27H52O4Si/c1-9-10-11-12-13-14-15-16-17-22-23(29-22)18-19-24-25(31-27(5,6)30-24)20-21-28-32(7,8)26(2,3)4/h16-17,22-25H,9-15,18-21H2,1-8H3/b17-16+/t22-,23-,24+,25+/m1/s1.

What are the key properties of tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?

tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane has a molecular weight of 468.80 g/mol, XLogP of 7.77, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11730362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).