2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol

C13H31NO5Si — CID 87238908

IUPAC2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol
SMILESCCC[Si](OCC)(OCC)OC(C)N(CCO)CCO
InChIInChI=1S/C13H31NO5Si/c1-5-12-20(17-6-2,18-7-3)19-13(4)14(8-10-15)9-11-16/h13,15-16H,5-12H2,1-4H3
InChIKeyINFJQMULERXADP-UHFFFAOYSA-N
MW309.48 g/mol
LogP1.06
Rot. Bonds13

About 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol

2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 87238908) has the molecular formula C13H31NO5Si and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID87238908
Molecular FormulaC13H31NO5Si
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol
SMILESCCC[Si](OCC)(OCC)OC(C)N(CCO)CCO
InChIInChI=1S/C13H31NO5Si/c1-5-12-20(17-6-2,18-7-3)19-13(4)14(8-10-15)9-11-16/h13,15-16H,5-12H2,1-4H3
InChIKeyINFJQMULERXADP-UHFFFAOYSA-N
XLogP1.06
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[diethoxy(propyl)silyl]oxypropane-1,1-diamine
CID 175506053
2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729819
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
1-(ethoxy-methoxy-propylsilyl)oxyethanamine
CID 87663977
N-methylmethanamine;triethoxy(propyl)silane
CID 22145973
CID 175896662
CID 175896662
triethoxy(propyl)silane;trimethoxysilane
CID 159942236
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
CID 175369116
CID 175369116
carbamic acid;triethoxy(propyl)silane
CID 175441799
diethoxy-(1-piperazin-1-ylethoxy)-propylsilane
CID 175420887
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952

Frequently Asked Questions

What is the IUPAC name of 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol (CID 87238908) is 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol is CCC[Si](OCC)(OCC)OC(C)N(CCO)CCO.
What is the InChIKey of 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is INFJQMULERXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO5Si/c1-5-12-20(17-6-2,18-7-3)19-13(4)14(8-10-15)9-11-16/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 309.48 g/mol, XLogP of 1.06, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 87238908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).