[(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate

C34H52N2O8Si2 — CID 10941417

About [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate

[(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate (PubChem CID 10941417) has the molecular formula C34H52N2O8Si2 and a molecular weight of 672.97 g/mol. Its IUPAC name is [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate
• PubChem CID: 10941417
• Molecular Formula: C34H52N2O8Si2
• Molecular Weight: 672.97 g/mol
• Exact Mass: 672.33
• IUPAC Name: [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@](/C=C/c3ccccc3)(n3ccc(=O)[nH]c3=O)[C@@H](OC(=O)C(C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C34H52N2O8Si2/c1-22(2)45(23(3)4)40-21-27-29(43-46(44-45,24(5)6)25(7)8)30(41-31(38)33(9,10)11)34(42-27,19-17-26-15-13-12-14-16-26)36-20-18-28(37)35-32(36)39/h12-20,22-25,27,29-30H,21H2,1-11H3,(H,35,37,39)/b19-17+/t27-,29-,30+,34-/m1/s1
• InChIKey: GKUURCGXBAIPQN-PXXGNVBISA-N
• XLogP: 6.22
• TPSA: 118.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.97
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate?

The IUPAC name of [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate (CID 10941417) is [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@](/C=C/c3ccccc3)(n3ccc(=O)[nH]c3=O)[C@@H](OC(=O)C(C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate?

The InChIKey is GKUURCGXBAIPQN-PXXGNVBISA-N. The full InChI is InChI=1S/C34H52N2O8Si2/c1-22(2)45(23(3)4)40-21-27-29(43-46(44-45,24(5)6)25(7)8)30(41-31(38)33(9,10)11)34(42-27,19-17-26-15-13-12-14-16-26)36-20-18-28(37)35-32(36)39/h12-20,22-25,27,29-30H,21H2,1-11H3,(H,35,37,39)/b19-17+/t27-,29-,30+,34-/m1/s1.

What are the key properties of [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate?

[(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate has a molecular weight of 672.97 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-[(E)-2-phenylethenyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10941417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).