2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol

C16H42N2O6Si3 — CID 140798011

IUPAC2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol
SMILESC[Si](C)(CCCN(O)O)O[Si](C)(C)O[Si](C)(C)CCCN(CCO)CCO
InChIInChI=1S/C16H42N2O6Si3/c1-25(2,15-7-9-17(11-13-19)12-14-20)23-27(5,6)24-26(3,4)16-8-10-18(21)22/h19-22H,7-16H2,1-6H3
InChIKeyBRQIMFXLRWYTEO-UHFFFAOYSA-N
MW442.78 g/mol
LogP2.28
Rot. Bonds16

About 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol

2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 140798011) has the molecular formula C16H42N2O6Si3 and a molecular weight of 442.78 g/mol. Its IUPAC name is 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol
PubChem CID140798011
Molecular FormulaC16H42N2O6Si3
Molecular Weight442.78 g/mol
Exact Mass442.24
IUPAC Name2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol
SMILESC[Si](C)(CCCN(O)O)O[Si](C)(C)O[Si](C)(C)CCCN(CCO)CCO
InChIInChI=1S/C16H42N2O6Si3/c1-25(2,15-7-9-17(11-13-19)12-14-20)23-27(5,6)24-26(3,4)16-8-10-18(21)22/h19-22H,7-16H2,1-6H3
InChIKeyBRQIMFXLRWYTEO-UHFFFAOYSA-N
XLogP2.28
TPSA105.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.78
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

2-[4-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[4-[2-hydroxyethyl(methyl)amino]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butyl-methylamino]ethanol
CID 58308898
3-[[[[[[3-hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-ol
CID 90989800
8-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]octan-1-ol
CID 20732733
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
2-[2-hydroxyethyl(3-trichlorosilylpropyl)amino]ethanol
CID 165117118
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane
CID 87115503
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]ethanol
CID 20801390
heptadecan-9-yl 8-[[6-[[dimethyl(octyl)silyl]oxy-dimethylsilyl]oxy-6-octoxyhexyl]-(2-hydroxyethyl)amino]octanoate
CID 170743002
2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 59180551
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol (CID 140798011) is 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol is C[Si](C)(CCCN(O)O)O[Si](C)(C)O[Si](C)(C)CCCN(CCO)CCO.
What is the InChIKey of 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is BRQIMFXLRWYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42N2O6Si3/c1-25(2,15-7-9-17(11-13-19)12-14-20)23-27(5,6)24-26(3,4)16-8-10-18(21)22/h19-22H,7-16H2,1-6H3.
What are the key properties of 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol?
2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 442.78 g/mol, XLogP of 2.28, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[3-(dihydroxyamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 140798011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).