[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane

C23H54O11Si3 — CID 158589804

IUPAC[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane
SMILESCCOCCOC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C23H54O11Si3/c1-11-33-18-19-34-23(15-12-20-35(24-2,25-3)26-4,16-13-21-36(27-5,28-6)29-7)17-14-22-37(30-8,31-9)32-10/h11-22H2,1-10H3
InChIKeyLQJHAGYLSGDUJH-UHFFFAOYSA-N
MW590.93 g/mol
LogP3.75
Rot. Bonds26

About [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane

[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane (PubChem CID 158589804) has the molecular formula C23H54O11Si3 and a molecular weight of 590.93 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane
PubChem CID158589804
Molecular FormulaC23H54O11Si3
Molecular Weight590.93 g/mol
Exact Mass590.30
IUPAC Name[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane
SMILESCCOCCOC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C23H54O11Si3/c1-11-33-18-19-34-23(15-12-20-35(24-2,25-3)26-4,16-13-21-36(27-5,28-6)29-7)17-14-22-37(30-8,31-9)32-10/h11-22H2,1-10H3
InChIKeyLQJHAGYLSGDUJH-UHFFFAOYSA-N
XLogP3.75
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.93
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 157122968
diethoxy-methoxy-(4,4,4-triethoxybutyl)silane
CID 54545002
2-ethoxyethyl 5-trimethoxysilylpentanoate
CID 158197775
11-ethylperoxyundecyl(trimethoxy)silane
CID 155643912
5-[2,2-bis(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)propoxy]pentyl-trimethoxysilane;5-[2-(ethoxymethyl)-2-[[2-(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)-2-(5-trimethoxysilylpentoxymethyl)propoxy]methyl]-3-(5-trimethoxysilylpentoxy)propoxy]pentyl-trimethoxysilane;3-[2-(ethoxymethyl)-2-[[2-(ethoxymethyl)-3-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propoxy]methyl]-3-(3-trimethoxysilylpropoxy)propoxy]propyl-trimethoxysilane;5-[2-(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)-2-[[3-(5-trimethoxysilylpentoxy)-2,2-bis(5-trimethoxysilylpentoxymethyl)propoxy]methyl]propoxy]pentyl-trimethoxysilane;3-[2-(ethoxymethyl)-3-(3-trimethoxysilylpropoxy)-2-[[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propoxy]methyl]propoxy]propyl-trimethoxysilane
CID 158154375
3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
CID 123735987
trimethoxy-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane
CID 155614579
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 160847650
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane?
The IUPAC name of [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane (CID 158589804) is [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane.
What is the SMILES notation for [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane?
The canonical SMILES for [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane is CCOCCOC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane?
The InChIKey is LQJHAGYLSGDUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O11Si3/c1-11-33-18-19-34-23(15-12-20-35(24-2,25-3)26-4,16-13-21-36(27-5,28-6)29-7)17-14-22-37(30-8,31-9)32-10/h11-22H2,1-10H3.
What are the key properties of [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane?
[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane has a molecular weight of 590.93 g/mol, XLogP of 3.75, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane is sourced from PubChem (CID 158589804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).