bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane

C26H52O8Si2 — CID 158300054

About bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane

bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane (PubChem CID 158300054) has the molecular formula C26H52O8Si2 and a molecular weight of 548.87 g/mol. Its IUPAC name is bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane.

Molecular Properties

• Compound Name: bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane
• PubChem CID: 158300054
• Molecular Formula: C26H52O8Si2
• Molecular Weight: 548.87 g/mol
• Exact Mass: 548.32
• IUPAC Name: bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane
• SMILES: CCC1(COC(=O)OCC2(CC)COC2)COC1.CCC1(COCCC[Si](C)(C)O[SiH](C)C)COC1
• InChI: InChI=1S/C13H22O5.C13H30O3Si2/c1-3-12(5-15-6-12)9-17-11(14)18-10-13(4-2)7-16-8-13;1-6-13(11-15-12-13)10-14-8-7-9-18(4,5)16-17(2)3/h3-10H2,1-2H3;17H,6-12H2,1-5H3
• InChIKey: GMJUYBIPCGXQKO-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.87
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?

The IUPAC name of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane (CID 158300054) is bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane.

What is the SMILES notation for bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?

The canonical SMILES for bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane is CCC1(COC(=O)OCC2(CC)COC2)COC1.CCC1(COCCC[Si](C)(C)O[SiH](C)C)COC1.

What is the InChIKey of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?

The InChIKey is GMJUYBIPCGXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5.C13H30O3Si2/c1-3-12(5-15-6-12)9-17-11(14)18-10-13(4-2)7-16-8-13;1-6-13(11-15-12-13)10-14-8-7-9-18(4,5)16-17(2)3/h3-10H2,1-2H3;17H,6-12H2,1-5H3.

What are the key properties of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?

bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane has a molecular weight of 548.87 g/mol, XLogP of 5.02, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane is sourced from PubChem (CID 158300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).