2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol

C19H45NO7Si2 — CID 159716952

IUPAC2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
SMILESCCO[Si](CCCN(CCO)CCC[Si](OCC)(OCC)OCC)(OC)OCC
InChIInChI=1S/C19H45NO7Si2/c1-7-23-28(22-6,24-8-2)18-12-14-20(16-17-21)15-13-19-29(25-9-3,26-10-4)27-11-5/h21H,7-19H2,1-6H3
InChIKeyCWDOXMQQHPRZQL-UHFFFAOYSA-N
MW455.74 g/mol
LogP2.77
Rot. Bonds21

About 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol

2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol (PubChem CID 159716952) has the molecular formula C19H45NO7Si2 and a molecular weight of 455.74 g/mol. Its IUPAC name is 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
PubChem CID159716952
Molecular FormulaC19H45NO7Si2
Molecular Weight455.74 g/mol
Exact Mass455.27
IUPAC Name2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
SMILESCCO[Si](CCCN(CCO)CCC[Si](OCC)(OCC)OCC)(OC)OCC
InChIInChI=1S/C19H45NO7Si2/c1-7-23-28(22-6,24-8-2)18-12-14-20(16-17-21)15-13-19-29(25-9-3,26-10-4)27-11-5/h21H,7-19H2,1-6H3
InChIKeyCWDOXMQQHPRZQL-UHFFFAOYSA-N
XLogP2.77
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
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-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
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'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
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
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354

Frequently Asked Questions

What is the IUPAC name of 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol?
The IUPAC name of 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol (CID 159716952) is 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol.
What is the SMILES notation for 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol?
The canonical SMILES for 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol is CCO[Si](CCCN(CCO)CCC[Si](OCC)(OCC)OCC)(OC)OCC.
What is the InChIKey of 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol?
The InChIKey is CWDOXMQQHPRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H45NO7Si2/c1-7-23-28(22-6,24-8-2)18-12-14-20(16-17-21)15-13-19-29(25-9-3,26-10-4)27-11-5/h21H,7-19H2,1-6H3.
What are the key properties of 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol?
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol has a molecular weight of 455.74 g/mol, XLogP of 2.77, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol is sourced from PubChem (CID 159716952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).