trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane

C65H156O28Si12 — CID 160847650

IUPACtrimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
SMILESCO[Si](CCC[Si](CCCOC(C)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C65H156O28Si12/c1-65(41-29-44-94(47-32-56-97(66-2,67-3)68-4,48-33-57-98(69-5,70-6)71-7)49-34-58-99(72-8,73-9)74-10,42-30-45-95(50-35-59-100(75-11,76-12)77-13,51-36-60-101(78-14,79-15)80-16)52-37-61-102(81-17,82-18)83-19)93-43-31-46-96(53-38-62-103(84-20,85-21)86-22,54-39-63-104(87-23,88-24)89-25)55-40-64-105(90-26,91-27)92-28/h29-64H2,1-28H3
InChIKeyZEJLXQNYWBXWPX-UHFFFAOYSA-N
MW1722.97 g/mol
LogP13.47
Rot. Bonds76

About trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane

trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane (PubChem CID 160847650) has the molecular formula C65H156O28Si12 and a molecular weight of 1722.97 g/mol. Its IUPAC name is trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
PubChem CID160847650
Molecular FormulaC65H156O28Si12
Molecular Weight1722.97 g/mol
Exact Mass1720.80
IUPAC Nametrimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
SMILESCO[Si](CCC[Si](CCCOC(C)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C65H156O28Si12/c1-65(41-29-44-94(47-32-56-97(66-2,67-3)68-4,48-33-57-98(69-5,70-6)71-7)49-34-58-99(72-8,73-9)74-10,42-30-45-95(50-35-59-100(75-11,76-12)77-13,51-36-60-101(78-14,79-15)80-16)52-37-61-102(81-17,82-18)83-19)93-43-31-46-96(53-38-62-103(84-20,85-21)86-22,54-39-63-104(87-23,88-24)89-25)55-40-64-105(90-26,91-27)92-28/h29-64H2,1-28H3
InChIKeyZEJLXQNYWBXWPX-UHFFFAOYSA-N
XLogP13.47
TPSA258.44 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds76
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.97
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 158894670
3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 157122968
N-methyl-2-(3-trimethoxysilylpropoxy)propan-2-amine
CID 22661603
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
CID 2733757
[3-[2-(ethoxymethyl)-3-[3-tris(trimethoxysilyloxy)silylpropoxy]-2-[[3-[3-tris(trimethoxysilyloxy)silylpropoxy]-2,2-bis[3-tris(trimethoxysilyloxy)silylpropoxymethyl]propoxy]methyl]propoxy]propyl-bis(trimethoxysilyloxy)silyl] trimethyl silicate;3-[2-(ethoxymethyl)-3-[3-[tris(3-trimethoxysilylpropyl)silyl]propoxy]-2-[[3-[3-[tris(3-trimethoxysilylpropyl)silyl]propoxy]-2,2-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propoxymethyl]propoxy]methyl]propoxy]propyl-tris(3-trimethoxysilylpropyl)silane
CID 158617310
3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
CID 141120987
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 176610404
2,2-dimethyl-5-trimethoxysilylpentanal
CID 86093954
[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane
CID 158589804

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane?
The IUPAC name of trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane (CID 160847650) is trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane is CO[Si](CCC[Si](CCCOC(C)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane?
The InChIKey is ZEJLXQNYWBXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H156O28Si12/c1-65(41-29-44-94(47-32-56-97(66-2,67-3)68-4,48-33-57-98(69-5,70-6)71-7)49-34-58-99(72-8,73-9)74-10,42-30-45-95(50-35-59-100(75-11,76-12)77-13,51-36-60-101(78-14,79-15)80-16)52-37-61-102(81-17,82-18)83-19)93-43-31-46-96(53-38-62-103(84-20,85-21)86-22,54-39-63-104(87-23,88-24)89-25)55-40-64-105(90-26,91-27)92-28/h29-64H2,1-28H3.
What are the key properties of trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane?
trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane has a molecular weight of 1722.97 g/mol, XLogP of 13.47, 76 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane is sourced from PubChem (CID 160847650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).