trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate

C24H46O4Si3 — CID 134835117

About trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate

trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate (PubChem CID 134835117) has the molecular formula C24H46O4Si3 and a molecular weight of 482.89 g/mol. Its IUPAC name is trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate.

Molecular Properties

• Compound Name: trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate
• PubChem CID: 134835117
• Molecular Formula: C24H46O4Si3
• Molecular Weight: 482.89 g/mol
• Exact Mass: 482.27
• IUPAC Name: trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate
• SMILES: C[C@H]1C=C[C@H]2C(O[Si](C)(C)C)=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1C(=O)O[Si](C)(C)C
• InChI: InChI=1S/C24H46O4Si3/c1-17-13-14-18-19(26-29(5,6)7)15-16-20(27-31(11,12)24(2,3)4)22(18)21(17)23(25)28-30(8,9)10/h13-15,17-18,20-22H,16H2,1-12H3/t17-,18-,20-,21-,22+/m0/s1
• InChIKey: KRMPRMCVAIDRCG-OOOLTRJPSA-N
• XLogP: 6.95
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.89
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate?

The IUPAC name of trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate (CID 134835117) is trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate.

What is the SMILES notation for trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate?

The canonical SMILES for trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate is C[C@H]1C=C[C@H]2C(O[Si](C)(C)C)=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1C(=O)O[Si](C)(C)C.

What is the InChIKey of trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate?

The InChIKey is KRMPRMCVAIDRCG-OOOLTRJPSA-N. The full InChI is InChI=1S/C24H46O4Si3/c1-17-13-14-18-19(26-29(5,6)7)15-16-20(27-31(11,12)24(2,3)4)22(18)21(17)23(25)28-30(8,9)10/h13-15,17-18,20-22H,16H2,1-12H3/t17-,18-,20-,21-,22+/m0/s1.

What are the key properties of trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate?

trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate has a molecular weight of 482.89 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilyloxy-1,2,4a,7,8,8a-hexahydronaphthalene-1-carboxylate is sourced from PubChem (CID 134835117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).