2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane

C30H42O6Si — CID 122204630

About 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane

2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane (PubChem CID 122204630) has the molecular formula C30H42O6Si and a molecular weight of 526.75 g/mol. Its IUPAC name is 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane
• PubChem CID: 122204630
• Molecular Formula: C30H42O6Si
• Molecular Weight: 526.75 g/mol
• Exact Mass: 526.28
• IUPAC Name: 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane
• SMILES: C=C(CO[C@@H]1[C@H](OC(C)C)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1OCc1ccccc1)C[Si](C)(C)C
• InChI: InChI=1S/C30H42O6Si/c1-21(2)34-30-28(31-17-22(3)20-37(4,5)6)27(32-18-23-13-9-7-10-14-23)26-25(35-30)19-33-29(36-26)24-15-11-8-12-16-24/h7-16,21,25-30H,3,17-20H2,1-2,4-6H3/t25-,26-,27+,28+,29?,30-/m1/s1
• InChIKey: UJHQGVUUBUUHLB-FYVISLQFSA-N
• XLogP: 6.12
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.75
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane?

The IUPAC name of 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane (CID 122204630) is 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane.

What is the SMILES notation for 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane?

The canonical SMILES for 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane is C=C(CO[C@@H]1[C@H](OC(C)C)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1OCc1ccccc1)C[Si](C)(C)C.

What is the InChIKey of 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane?

The InChIKey is UJHQGVUUBUUHLB-FYVISLQFSA-N. The full InChI is InChI=1S/C30H42O6Si/c1-21(2)34-30-28(31-17-22(3)20-37(4,5)6)27(32-18-23-13-9-7-10-14-23)26-25(35-30)19-33-29(36-26)24-15-11-8-12-16-24/h7-16,21,25-30H,3,17-20H2,1-2,4-6H3/t25-,26-,27+,28+,29?,30-/m1/s1.

What are the key properties of 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane?

2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane has a molecular weight of 526.75 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4aR,6R,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethyl]prop-2-enyl-trimethylsilane is sourced from PubChem (CID 122204630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).