[(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane

C33H60O5SSi2 — CID 164669997

About [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane

[(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 164669997) has the molecular formula C33H60O5SSi2 and a molecular weight of 625.08 g/mol. Its IUPAC name is [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 164669997
• Molecular Formula: C33H60O5SSi2
• Molecular Weight: 625.08 g/mol
• Exact Mass: 624.37
• IUPAC Name: [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
• SMILES: CCS[C@H]1OC2COC(c3ccccc3)O[C@@H]2C(O[Si](C(C)C)(C(C)C)C(C)C)C1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C33H60O5SSi2/c1-14-39-33-31(38-41(24(8)9,25(10)11)26(12)13)30(37-40(21(2)3,22(4)5)23(6)7)29-28(35-33)20-34-32(36-29)27-18-16-15-17-19-27/h15-19,21-26,28-33H,14,20H2,1-13H3/t28?,29-,30?,31?,32?,33+/m0/s1
• InChIKey: OCMSICYLHFWRJK-DGHDBZOVSA-N
• XLogP: 9.70
• TPSA: 46.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.08
LogP ≤ 5	9.70
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 [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane (CID 164669997) is [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane is CCS[C@H]1OC2COC(c3ccccc3)O[C@@H]2C(O[Si](C(C)C)(C(C)C)C(C)C)C1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is OCMSICYLHFWRJK-DGHDBZOVSA-N. The full InChI is InChI=1S/C33H60O5SSi2/c1-14-39-33-31(38-41(24(8)9,25(10)11)26(12)13)30(37-40(21(2)3,22(4)5)23(6)7)29-28(35-33)20-34-32(36-29)27-18-16-15-17-19-27/h15-19,21-26,28-33H,14,20H2,1-13H3/t28?,29-,30?,31?,32?,33+/m0/s1.

What are the key properties of [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?

[(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 625.08 g/mol, XLogP of 9.70, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R,8aS)-6-ethylsulfanyl-2-phenyl-7-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 164669997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).