1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol

C24H44O4Si2 — CID 3545122

About 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol

1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 3545122) has the molecular formula C24H44O4Si2 and a molecular weight of 452.78 g/mol. Its IUPAC name is 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

• Compound Name: 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol
• PubChem CID: 3545122
• Molecular Formula: C24H44O4Si2
• Molecular Weight: 452.78 g/mol
• Exact Mass: 452.28
• IUPAC Name: 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol
• SMILES: CCC=CCC(O[Si](C)(C)C(C)(C)C)C1CC2OC(C(O)C#C[Si](C)(C)C)CC2O1
• InChI: InChI=1S/C24H44O4Si2/c1-10-11-12-13-19(28-30(8,9)24(2,3)4)21-17-23-22(27-21)16-20(26-23)18(25)14-15-29(5,6)7/h11-12,18-23,25H,10,13,16-17H2,1-9H3
• InChIKey: DEWRPLOYTYQCKN-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.78
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol?

The IUPAC name of 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 3545122) is 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol.

What is the SMILES notation for 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol?

The canonical SMILES for 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol is CCC=CCC(O[Si](C)(C)C(C)(C)C)C1CC2OC(C(O)C#C[Si](C)(C)C)CC2O1.

What is the InChIKey of 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol?

The InChIKey is DEWRPLOYTYQCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O4Si2/c1-10-11-12-13-19(28-30(8,9)24(2,3)4)21-17-23-22(27-21)16-20(26-23)18(25)14-15-29(5,6)7/h11-12,18-23,25H,10,13,16-17H2,1-9H3.

What are the key properties of 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol?

1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 452.78 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 3545122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).