1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

C24H44O6Si2 — CID 20754311

About 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (PubChem CID 20754311) has the molecular formula C24H44O6Si2 and a molecular weight of 484.78 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
• PubChem CID: 20754311
• Molecular Formula: C24H44O6Si2
• Molecular Weight: 484.78 g/mol
• Exact Mass: 484.27
• IUPAC Name: 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
• SMILES: CC1CCOC1(C)C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C24H44O6Si2/c1-16-11-12-28-24(16,4)19-18(20(25)30-21(19)26)13-23(2,3)22(27)29-17(14-31(5,6)7)15-32(8,9)10/h16-19H,11-15H2,1-10H3
• InChIKey: XEVRVOQEGDNYCP-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.78
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (CID 20754311) is 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

What is the SMILES notation for 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The canonical SMILES for 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is CC1CCOC1(C)C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C.

What is the InChIKey of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The InChIKey is XEVRVOQEGDNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6Si2/c1-16-11-12-28-24(16,4)19-18(20(25)30-21(19)26)13-23(2,3)22(27)29-17(14-31(5,6)7)15-32(8,9)10/h16-19H,11-15H2,1-10H3.

What are the key properties of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate has a molecular weight of 484.78 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 20754311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).