3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol

C25H58O13Si3 — CID 164730273

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

3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol (PubChem CID 164730273) has the molecular formula C25H58O13Si3 and a molecular weight of 650.98 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
• PubChem CID: 164730273
• Molecular Formula: C25H58O13Si3
• Molecular Weight: 650.98 g/mol
• Exact Mass: 650.32
• IUPAC Name: 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
• SMILES: C[Si](C)(C)O[Si](C)(CCCOCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO)O[Si](C)(C)C
• InChI: InChI=1S/C25H58O13Si3/c1-39(2,3)37-41(7,38-40(4,5)6)10-8-9-32-13-22(28)14-34-17-24(30)18-36-20-25(31)19-35-16-23(29)15-33-12-21(27)11-26/h21-31H,8-20H2,1-7H3
• InChIKey: QTSHGAJYRQOBDZ-UHFFFAOYSA-N
• XLogP: 0.03
• TPSA: 185.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	650.98
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

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 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol?

The IUPAC name of 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol (CID 164730273) is 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol.

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

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

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

The InChIKey is QTSHGAJYRQOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H58O13Si3/c1-39(2,3)37-41(7,38-40(4,5)6)10-8-9-32-13-22(28)14-34-17-24(30)18-36-20-25(31)19-35-16-23(29)15-33-12-21(27)11-26/h21-31H,8-20H2,1-7H3.

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

3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol has a molecular weight of 650.98 g/mol, XLogP of 0.03, 27 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol is sourced from PubChem (CID 164730273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).