[5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate

C27H54O6Si2 — CID 10940402

About [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate

[5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate (PubChem CID 10940402) has the molecular formula C27H54O6Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate
• PubChem CID: 10940402
• Molecular Formula: C27H54O6Si2
• Molecular Weight: 530.90 g/mol
• Exact Mass: 530.35
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate
• SMILES: CC1(CC(C=C(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C)OCCO1
• InChI: InChI=1S/C27H54O6Si2/c1-24(2,3)23(28)33-22(18-27(10)29-15-16-30-27)17-21(19-31-34(11,12)25(4,5)6)20-32-35(13,14)26(7,8)9/h17,22H,15-16,18-20H2,1-14H3
• InChIKey: ZUXZBIAFMRMFLA-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.90
LogP ≤ 5	7.07
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 [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate (CID 10940402) is [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate is CC1(CC(C=C(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C)OCCO1.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate?

The InChIKey is ZUXZBIAFMRMFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O6Si2/c1-24(2,3)23(28)33-22(18-27(10)29-15-16-30-27)17-21(19-31-34(11,12)25(4,5)6)20-32-35(13,14)26(7,8)9/h17,22H,15-16,18-20H2,1-14H3.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate?

[5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate has a molecular weight of 530.90 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methyl-1,3-dioxolan-2-yl)pent-3-en-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10940402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).