[tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate

C23H40O5Si2 — CID 68778646

About [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate

[tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 68778646) has the molecular formula C23H40O5Si2 and a molecular weight of 452.74 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

• Compound Name: [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
• PubChem CID: 68778646
• Molecular Formula: C23H40O5Si2
• Molecular Weight: 452.74 g/mol
• Exact Mass: 452.24
• IUPAC Name: [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
• SMILES: Cc1c(C(=O)O[Si](C)(C)C(C)(C)C)ccc2c1OC(CO[Si](C)(C)C(C)(C)C)CO2
• InChI: InChI=1S/C23H40O5Si2/c1-16-18(21(24)28-30(10,11)23(5,6)7)12-13-19-20(16)27-17(14-25-19)15-26-29(8,9)22(2,3)4/h12-13,17H,14-15H2,1-11H3
• InChIKey: RHFRVVPXSQFJOC-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.74
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate?

The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 68778646) is [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate.

What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate?

The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate is Cc1c(C(=O)O[Si](C)(C)C(C)(C)C)ccc2c1OC(CO[Si](C)(C)C(C)(C)C)CO2.

What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate?

The InChIKey is RHFRVVPXSQFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O5Si2/c1-16-18(21(24)28-30(10,11)23(5,6)7)12-13-19-20(16)27-17(14-25-19)15-26-29(8,9)22(2,3)4/h12-13,17H,14-15H2,1-11H3.

What are the key properties of [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate?

[tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 452.74 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 68778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).