(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one

C₁₈H₃₆O₆Si₂ — CID 153493511

About (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one

(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one (PubChem CID 153493511) has the molecular formula C₁₈H₃₆O₆Si₂ and a molecular weight of 404.65 g/mol. Its IUPAC name is (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one.

Molecular Properties

• Compound Name: (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
• PubChem CID: 153493511
• Molecular Formula: C₁₈H₃₆O₆Si₂
• Molecular Weight: 404.65 g/mol
• Exact Mass: 404.21
• IUPAC Name: (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
• SMILES: CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2C1=O
• InChI: InChI=1S/C18H36O6Si2/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8/h11-15,17-18H,10H2,1-9H3/t15-,17-,18-/m1/s1
• InChIKey: WREJRRJEEAUHNM-KBAYOESNSA-N
• XLogP: 3.88
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.65
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one?

The IUPAC name of (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one (CID 153493511) is (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one.

What is the SMILES notation for (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one?

The canonical SMILES for (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one is CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2C1=O.

What is the InChIKey of (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one?

The InChIKey is WREJRRJEEAUHNM-KBAYOESNSA-N. The full InChI is InChI=1S/C18H36O6Si2/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8/h11-15,17-18H,10H2,1-9H3/t15-,17-,18-/m1/s1.

What are the key properties of (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one?

(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one has a molecular weight of 404.65 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one is sourced from PubChem (CID 153493511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153493511 — identifiers, structure, computed properties (public domain)

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