1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

C26H48O7Si2 — CID 20754312

About 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (PubChem CID 20754312) has the molecular formula C26H48O7Si2 and a molecular weight of 528.84 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
• PubChem CID: 20754312
• Molecular Formula: C26H48O7Si2
• Molecular Weight: 528.84 g/mol
• Exact Mass: 528.29
• IUPAC Name: 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
• SMILES: CCOC1CCC(C)C(C2C(=O)OC(=O)C2CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C)O1
• InChI: InChI=1S/C26H48O7Si2/c1-11-30-20-13-12-17(2)22(32-20)21-19(23(27)33-24(21)28)14-26(3,4)25(29)31-18(15-34(5,6)7)16-35(8,9)10/h17-22H,11-16H2,1-10H3
• InChIKey: IHBMABZDCRSVSQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 88.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.84
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (CID 20754312) is 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-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-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The canonical SMILES for 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is CCOC1CCC(C)C(C2C(=O)OC(=O)C2CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C)O1.

What is the InChIKey of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The InChIKey is IHBMABZDCRSVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O7Si2/c1-11-30-20-13-12-17(2)22(32-20)21-19(23(27)33-24(21)28)14-26(3,4)25(29)31-18(15-34(5,6)7)16-35(8,9)10/h17-22H,11-16H2,1-10H3.

What are the key properties of 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate has a molecular weight of 528.84 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 20754312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).