2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol

C23H60O8Si6 — CID 153470020

About 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol

2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol (PubChem CID 153470020) has the molecular formula C23H60O8Si6 and a molecular weight of 633.24 g/mol. Its IUPAC name is 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol.

Molecular Properties

• Compound Name: 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
• PubChem CID: 153470020
• Molecular Formula: C23H60O8Si6
• Molecular Weight: 633.24 g/mol
• Exact Mass: 632.29
• IUPAC Name: 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
• SMILES: C[Si](C)(C)O[Si](C)(CCCOCC(CO)(CO)COC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C23H60O8Si6/c1-32(2,3)28-36(13,29-33(4,5)6)17-15-16-26-20-23(18-24,19-25)21-27-22-37(14,30-34(7,8)9)31-35(10,11)12/h24-25H,15-22H2,1-14H3
• InChIKey: FOWFHYMCHAUAHK-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.24
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
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 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?

The IUPAC name of 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol (CID 153470020) is 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol.

What is the SMILES notation for 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?

The canonical SMILES for 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol is C[Si](C)(C)O[Si](C)(CCCOCC(CO)(CO)COC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?

The InChIKey is FOWFHYMCHAUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H60O8Si6/c1-32(2,3)28-36(13,29-33(4,5)6)17-15-16-26-20-23(18-24,19-25)21-27-22-37(14,30-34(7,8)9)31-35(10,11)12/h24-25H,15-22H2,1-14H3.

What are the key properties of 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?

2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol has a molecular weight of 633.24 g/mol, XLogP of 5.47, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol is sourced from PubChem (CID 153470020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).