tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate

C68H160N4O24Si9 — CID 101498166

IUPACtetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate
SMILESCCO[Si](CCCNCC(O)COCCC[Si](C)(C)O[Si](O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)(O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C68H160N4O24Si9/c1-21-81-101(82-22-2,83-23-3)53-33-41-69-57-65(73)61-77-45-37-49-97(13,14)93-105(94-98(15,16)50-38-46-78-62-66(74)58-70-42-34-54-102(84-24-4,85-25-5)86-26-6,95-99(17,18)51-39-47-79-63-67(75)59-71-43-35-55-103(87-27-7,88-28-8)89-29-9)96-100(19,20)52-40-48-80-64-68(76)60-72-44-36-56-104(90-30-10,91-31-11)92-32-12/h65-76H,21-64H2,1-20H3
InChIKeyVFJFKHSHQTVBSV-UHFFFAOYSA-N
MW1670.81 g/mol
LogP9.49
Rot. Bonds80

About tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate

tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate (PubChem CID 101498166) has the molecular formula C68H160N4O24Si9 and a molecular weight of 1670.81 g/mol. Its IUPAC name is tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate.

Molecular Properties

Compound Nametetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate
PubChem CID101498166
Molecular FormulaC68H160N4O24Si9
Molecular Weight1670.81 g/mol
Exact Mass1668.93
IUPAC Nametetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate
SMILESCCO[Si](CCCNCC(O)COCCC[Si](C)(C)O[Si](O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)(O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C68H160N4O24Si9/c1-21-81-101(82-22-2,83-23-3)53-33-41-69-57-65(73)61-77-45-37-49-97(13,14)93-105(94-98(15,16)50-38-46-78-62-66(74)58-70-42-34-54-102(84-24-4,85-25-5)86-26-6,95-99(17,18)51-39-47-79-63-67(75)59-71-43-35-55-103(87-27-7,88-28-8)89-29-9)96-100(19,20)52-40-48-80-64-68(76)60-72-44-36-56-104(90-30-10,91-31-11)92-32-12/h65-76H,21-64H2,1-20H3
InChIKeyVFJFKHSHQTVBSV-UHFFFAOYSA-N
XLogP9.49
TPSA313.64 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds80
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001670.81
LogP ≤ 59.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate with MolForge

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Related Compounds

1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
CID 87800382
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate
CID 59593661
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805

Frequently Asked Questions

What is the IUPAC name of tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate?
The IUPAC name of tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate (CID 101498166) is tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate.
What is the SMILES notation for tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate?
The canonical SMILES for tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate is CCO[Si](CCCNCC(O)COCCC[Si](C)(C)O[Si](O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)(O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)O[Si](C)(C)CCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate?
The InChIKey is VFJFKHSHQTVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H160N4O24Si9/c1-21-81-101(82-22-2,83-23-3)53-33-41-69-57-65(73)61-77-45-37-49-97(13,14)93-105(94-98(15,16)50-38-46-78-62-66(74)58-70-42-34-54-102(84-24-4,85-25-5)86-26-6,95-99(17,18)51-39-47-79-63-67(75)59-71-43-35-55-103(87-27-7,88-28-8)89-29-9)96-100(19,20)52-40-48-80-64-68(76)60-72-44-36-56-104(90-30-10,91-31-11)92-32-12/h65-76H,21-64H2,1-20H3.
What are the key properties of tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate?
tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate has a molecular weight of 1670.81 g/mol, XLogP of 9.49, 80 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate is sourced from PubChem (CID 101498166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).