2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate

C25H44O9Si2 — CID 20822614

About 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate

2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate (PubChem CID 20822614) has the molecular formula C25H44O9Si2 and a molecular weight of 544.79 g/mol. Its IUPAC name is 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate.

Molecular Properties

• Compound Name: 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
• PubChem CID: 20822614
• Molecular Formula: C25H44O9Si2
• Molecular Weight: 544.79 g/mol
• Exact Mass: 544.25
• IUPAC Name: 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
• SMILES: CC(CC1C(=O)OC(=O)C1CC(C)C(=O)OC(C)(C)C)OCCOC(=O)C1C[Si](C)(C)O[Si](C)(C)C1
• InChI: InChI=1S/C25H44O9Si2/c1-16(21(26)33-25(3,4)5)12-19-20(24(29)32-23(19)28)13-17(2)30-10-11-31-22(27)18-14-35(6,7)34-36(8,9)15-18/h16-20H,10-15H2,1-9H3
• InChIKey: HIJCGGYLMKHVAX-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 114.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.79
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?

The IUPAC name of 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate (CID 20822614) is 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate.

What is the SMILES notation for 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?

The canonical SMILES for 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate is CC(CC1C(=O)OC(=O)C1CC(C)C(=O)OC(C)(C)C)OCCOC(=O)C1C[Si](C)(C)O[Si](C)(C)C1.

What is the InChIKey of 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?

The InChIKey is HIJCGGYLMKHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O9Si2/c1-16(21(26)33-25(3,4)5)12-19-20(24(29)32-23(19)28)13-17(2)30-10-11-31-22(27)18-14-35(6,7)34-36(8,9)15-18/h16-20H,10-15H2,1-9H3.

What are the key properties of 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate?

2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate has a molecular weight of 544.79 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate is sourced from PubChem (CID 20822614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).