2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol

C24H56N2O8Si2 — CID 165406159

IUPAC2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
SMILESCCO[Si](CCCN(CCO)CCN(CCO)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H56N2O8Si2/c1-7-29-35(30-8-2,31-9-3)23-13-15-25(19-21-27)17-18-26(20-22-28)16-14-24-36(32-10-4,33-11-5)34-12-6/h27-28H,7-24H2,1-6H3
InChIKeyLFEVDWFQWKKLHM-UHFFFAOYSA-N
MW556.89 g/mol
LogP2.45
Rot. Bonds27

About 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol

2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol (PubChem CID 165406159) has the molecular formula C24H56N2O8Si2 and a molecular weight of 556.89 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
PubChem CID165406159
Molecular FormulaC24H56N2O8Si2
Molecular Weight556.89 g/mol
Exact Mass556.36
IUPAC Name2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
SMILESCCO[Si](CCCN(CCO)CCN(CCO)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H56N2O8Si2/c1-7-29-35(30-8-2,31-9-3)23-13-15-25(19-21-27)17-18-26(20-22-28)16-14-24-36(32-10-4,33-11-5)34-12-6/h27-28H,7-24H2,1-6H3
InChIKeyLFEVDWFQWKKLHM-UHFFFAOYSA-N
XLogP2.45
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.89
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952
2-[bis(3-trimethoxysilylpropyl)amino]ethanol;3-[diethoxy(methoxy)silyl]-N-methyl-N-(3-triethoxysilylpropyl)propan-1-amine;2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol;N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 165038750
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
2-[2-hydroxyethyl-[(3-triethoxysilylpropylamino)methyl]amino]ethanol
CID 59782810
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide
CID 58720478
37-triethoxysilylheptatriacontan-1-ol
CID 87684596
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623492

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol?
The IUPAC name of 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol (CID 165406159) is 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol?
The canonical SMILES for 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol is CCO[Si](CCCN(CCO)CCN(CCO)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol?
The InChIKey is LFEVDWFQWKKLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56N2O8Si2/c1-7-29-35(30-8-2,31-9-3)23-13-15-25(19-21-27)17-18-26(20-22-28)16-14-24-36(32-10-4,33-11-5)34-12-6/h27-28H,7-24H2,1-6H3.
What are the key properties of 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol?
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol has a molecular weight of 556.89 g/mol, XLogP of 2.45, 27 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol is sourced from PubChem (CID 165406159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).