1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol

C34H76O16Si3 — CID 59187876

About 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol

1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol (PubChem CID 59187876) has the molecular formula C34H76O16Si3 and a molecular weight of 825.22 g/mol. Its IUPAC name is 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol
• PubChem CID: 59187876
• Molecular Formula: C34H76O16Si3
• Molecular Weight: 825.22 g/mol
• Exact Mass: 824.44
• IUPAC Name: 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol
• SMILES: COCC(O)COCC(COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(COCC(O)COC)OCC(O)COC)OCC(O)COC
• InChI: InChI=1S/C34H76O16Si3/c1-39-17-29(35)21-45-27-33(47-23-31(37)19-41-3)25-43-13-11-15-51(5,6)49-53(9,10)50-52(7,8)16-12-14-44-26-34(48-24-32(38)20-42-4)28-46-22-30(36)18-40-2/h29-38H,11-28H2,1-10H3
• InChIKey: RBZJZCGCPDLGPV-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 191.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.22
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol?

The IUPAC name of 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol (CID 59187876) is 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol.

What is the SMILES notation for 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol?

The canonical SMILES for 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol is COCC(O)COCC(COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(COCC(O)COC)OCC(O)COC)OCC(O)COC.

What is the InChIKey of 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol?

The InChIKey is RBZJZCGCPDLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H76O16Si3/c1-39-17-29(35)21-45-27-33(47-23-31(37)19-41-3)25-43-13-11-15-51(5,6)49-53(9,10)50-52(7,8)16-12-14-44-26-34(48-24-32(38)20-42-4)28-46-22-30(36)18-40-2/h29-38H,11-28H2,1-10H3.

What are the key properties of 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol?

1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol has a molecular weight of 825.22 g/mol, XLogP of 1.78, 38 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 59187876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).