3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine

C24H56N2O6S4Si2 — CID 87342465

About 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine

3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 87342465) has the molecular formula C24H56N2O6S4Si2 and a molecular weight of 653.16 g/mol. Its IUPAC name is 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
• PubChem CID: 87342465
• Molecular Formula: C24H56N2O6S4Si2
• Molecular Weight: 653.16 g/mol
• Exact Mass: 652.26
• IUPAC Name: 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
• SMILES: CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCCCN(C)C)(OCC)OCCCN(C)C
• InChI: InChI=1S/C24H56N2O6S4Si2/c1-9-27-37(28-10-2,31-19-13-17-25(5)6)23-15-21-33-35-36-34-22-16-24-38(29-11-3,30-12-4)32-20-14-18-26(7)8/h9-24H2,1-8H3
• InChIKey: XSWJUZHFYMFXPD-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 61.86 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	653.16
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine?

The IUPAC name of 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine (CID 87342465) is 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine?

The canonical SMILES for 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine is CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCCCN(C)C)(OCC)OCCCN(C)C.

What is the InChIKey of 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine?

The InChIKey is XSWJUZHFYMFXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56N2O6S4Si2/c1-9-27-37(28-10-2,31-19-13-17-25(5)6)23-15-21-33-35-36-34-22-16-24-38(29-11-3,30-12-4)32-20-14-18-26(7)8/h9-24H2,1-8H3.

What are the key properties of 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine?

3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 653.16 g/mol, XLogP of 6.40, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 87342465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).