2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol

C16H40O6Si3 — CID 20804910

IUPAC2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
SMILESC[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCCO
InChIInChI=1S/C16H40O6Si3/c1-23(2,15-7-11-19-13-9-17)21-25(5,6)22-24(3,4)16-8-12-20-14-10-18/h17-18H,7-16H2,1-6H3
InChIKeyNCGYKHCGWLEDJE-UHFFFAOYSA-N
MW412.75 g/mol
LogP2.93
Rot. Bonds16

About 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol

2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol (PubChem CID 20804910) has the molecular formula C16H40O6Si3 and a molecular weight of 412.75 g/mol. Its IUPAC name is 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
PubChem CID20804910
Molecular FormulaC16H40O6Si3
Molecular Weight412.75 g/mol
Exact Mass412.21
IUPAC Name2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
SMILESC[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCCO
InChIInChI=1S/C16H40O6Si3/c1-23(2,15-7-11-19-13-9-17)21-25(5,6)22-24(3,4)16-8-12-20-14-10-18/h17-18H,7-16H2,1-6H3
InChIKeyNCGYKHCGWLEDJE-UHFFFAOYSA-N
XLogP2.93
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
The IUPAC name of 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol (CID 20804910) is 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
The canonical SMILES for 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol is C[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCCO.
What is the InChIKey of 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
The InChIKey is NCGYKHCGWLEDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O6Si3/c1-23(2,15-7-11-19-13-9-17)21-25(5,6)22-24(3,4)16-8-12-20-14-10-18/h17-18H,7-16H2,1-6H3.
What are the key properties of 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol has a molecular weight of 412.75 g/mol, XLogP of 2.93, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol is sourced from PubChem (CID 20804910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).