(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide

C28H48I5O8Si2W- — CID 158578805

About (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide

(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide (PubChem CID 158578805) has the molecular formula C28H48I5O8Si2W- and a molecular weight of 1387.22 g/mol. Its IUPAC name is (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide.

Molecular Properties

• Compound Name: (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide
• PubChem CID: 158578805
• Molecular Formula: C28H48I5O8Si2W-
• Molecular Weight: 1387.22 g/mol
• Exact Mass: 1386.76
• IUPAC Name: (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide
• SMILES: CC(C)(C)[Si](C)(C)O[C@@]12C=C[C@@H](O)[C@@H](C1)OC2=O.CCO[C@@H]1C=C[C@]2(O[Si](C)(C)C(C)(C)C)C[C@H]1OC2=O.II.I[I-]I.[W]
• InChI: InChI=1S/C15H26O4Si.C13H22O4Si.I3.I2.W/c1-7-17-11-8-9-15(10-12(11)18-13(15)16)19-20(5,6)14(2,3)4;1-12(2,3)18(4,5)17-13-7-6-9(14)10(8-13)16-11(13)15;1-3-2;1-2;/h8-9,11-12H,7,10H2,1-6H3;6-7,9-10,14H,8H2,1-5H3;;;/q;;-1;;/t11-,12-,15+;9-,10-,13+;;;/m11.../s1
• InChIKey: QPFZLMWKAJUCBR-KSXYSISMSA-N
• XLogP: 5.57
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1387.22
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide?

The IUPAC name of (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide (CID 158578805) is (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide.

What is the SMILES notation for (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide?

The canonical SMILES for (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide is CC(C)(C)[Si](C)(C)O[C@@]12C=C[C@@H](O)[C@@H](C1)OC2=O.CCO[C@@H]1C=C[C@]2(O[Si](C)(C)C(C)(C)C)C[C@H]1OC2=O.II.I[I-]I.[W].

What is the InChIKey of (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide?

The InChIKey is QPFZLMWKAJUCBR-KSXYSISMSA-N. The full InChI is InChI=1S/C15H26O4Si.C13H22O4Si.I3.I2.W/c1-7-17-11-8-9-15(10-12(11)18-13(15)16)19-20(5,6)14(2,3)4;1-12(2,3)18(4,5)17-13-7-6-9(14)10(8-13)16-11(13)15;1-3-2;1-2;/h8-9,11-12H,7,10H2,1-6H3;6-7,9-10,14H,8H2,1-5H3;;;/q;;-1;;/t11-,12-,15+;9-,10-,13+;;;/m11.../s1.

What are the key properties of (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide?

(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide has a molecular weight of 1387.22 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;(1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one;molecular iodine;tungsten;triiodide is sourced from PubChem (CID 158578805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).