trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane

C21H48O6Si2 — CID 158409157

IUPACtrimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane
SMILESCO[Si](CCCC(CCC[Si](OC)(OC)OC)C(C)(C)CC(C)(C)C)(OC)OC
InChIInChI=1S/C21H48O6Si2/c1-20(2,3)18-21(4,5)19(14-12-16-28(22-6,23-7)24-8)15-13-17-29(25-9,26-10)27-11/h19H,12-18H2,1-11H3
InChIKeyKRNDKJLNIQARIY-UHFFFAOYSA-N
MW452.78 g/mol
LogP5.38
Rot. Bonds16

About trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane

trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane (PubChem CID 158409157) has the molecular formula C21H48O6Si2 and a molecular weight of 452.78 g/mol. Its IUPAC name is trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane.

Molecular Properties

Compound Nametrimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane
PubChem CID158409157
Molecular FormulaC21H48O6Si2
Molecular Weight452.78 g/mol
Exact Mass452.30
IUPAC Nametrimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane
SMILESCO[Si](CCCC(CCC[Si](OC)(OC)OC)C(C)(C)CC(C)(C)C)(OC)OC
InChIInChI=1S/C21H48O6Si2/c1-20(2,3)18-21(4,5)19(14-12-16-28(22-6,23-7)24-8)15-13-17-29(25-9,26-10)27-11/h19H,12-18H2,1-11H3
InChIKeyKRNDKJLNIQARIY-UHFFFAOYSA-N
XLogP5.38
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.78
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[6,6,8,8-tetramethyl-4-(2-trimethoxysilylethyl)nonyl]silane
CID 158409158
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
trimethoxy(4-methylheptyl)silane
CID 23534240
3-ethyl-7-trimethoxysilylheptane-3,4-diamine
CID 174995440
2-methyl-4-(3-trimethoxysilylpropyl)nonan-2-amine
CID 87201991
1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 176610404
2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
CID 87229361
trimethoxy(4-methylicosyl)silane
CID 88743380
28-chlorooctacosyl(trimethoxy)silane
CID 87680981
azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
CID 172702580

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane?
The IUPAC name of trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane (CID 158409157) is trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane.
What is the SMILES notation for trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane?
The canonical SMILES for trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane is CO[Si](CCCC(CCC[Si](OC)(OC)OC)C(C)(C)CC(C)(C)C)(OC)OC.
What is the InChIKey of trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane?
The InChIKey is KRNDKJLNIQARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O6Si2/c1-20(2,3)18-21(4,5)19(14-12-16-28(22-6,23-7)24-8)15-13-17-29(25-9,26-10)27-11/h19H,12-18H2,1-11H3.
What are the key properties of trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane?
trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane has a molecular weight of 452.78 g/mol, XLogP of 5.38, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[5,5,7,7-tetramethyl-4-(3-trimethoxysilylpropyl)octyl]silane is sourced from PubChem (CID 158409157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).