2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol

C7H16Cl3NO2Si — CID 165117118

IUPAC2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol
SMILESOCCN(CCO)CCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H16Cl3NO2Si/c8-14(9,10)7-1-2-11(3-5-12)4-6-13/h12-13H,1-7H2
InChIKeyCLEMDKAULWEORQ-UHFFFAOYSA-N
MW280.66 g/mol
LogP1.32
Rot. Bonds8

About 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol

2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol (PubChem CID 165117118) has the molecular formula C7H16Cl3NO2Si and a molecular weight of 280.66 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol
PubChem CID165117118
Molecular FormulaC7H16Cl3NO2Si
Molecular Weight280.66 g/mol
Exact Mass279.00
IUPAC Name2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol
SMILESOCCN(CCO)CCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H16Cl3NO2Si/c8-14(9,10)7-1-2-11(3-5-12)4-6-13/h12-13H,1-7H2
InChIKeyCLEMDKAULWEORQ-UHFFFAOYSA-N
XLogP1.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
35-trichlorosilylpentatriacontan-1-ol
CID 87683942
38-trichlorosilyloctatriacontan-1-ol
CID 87686206
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol (CID 165117118) is 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol is OCCN(CCO)CCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol?
The InChIKey is CLEMDKAULWEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl3NO2Si/c8-14(9,10)7-1-2-11(3-5-12)4-6-13/h12-13H,1-7H2.
What are the key properties of 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol?
2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol has a molecular weight of 280.66 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol is sourced from PubChem (CID 165117118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).