triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane

C23H52O2Si2 — CID 87775366

IUPACtriethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane
SMILESCC[Si](CC)(CC)OCC(CO[Si](CC)(CC)CC)(CC(C)C)CC(C)C
InChIInChI=1S/C23H52O2Si2/c1-11-26(12-2,13-3)24-19-23(17-21(7)8,18-22(9)10)20-25-27(14-4,15-5)16-6/h21-22H,11-20H2,1-10H3
InChIKeyWASULXZZPOVTMM-UHFFFAOYSA-N
MW416.84 g/mol
LogP8.11
Rot. Bonds16

About triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane

triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane (PubChem CID 87775366) has the molecular formula C23H52O2Si2 and a molecular weight of 416.84 g/mol. Its IUPAC name is triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane.

Molecular Properties

Compound Nametriethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane
PubChem CID87775366
Molecular FormulaC23H52O2Si2
Molecular Weight416.84 g/mol
Exact Mass416.35
IUPAC Nametriethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane
SMILESCC[Si](CC)(CC)OCC(CO[Si](CC)(CC)CC)(CC(C)C)CC(C)C
InChIInChI=1S/C23H52O2Si2/c1-11-26(12-2,13-3)24-19-23(17-21(7)8,18-22(9)10)20-25-27(14-4,15-5)16-6/h21-22H,11-20H2,1-10H3
InChIKeyWASULXZZPOVTMM-UHFFFAOYSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isobutoxy-
CID 91721103
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)(2-ethylhexyloxy)-
CID 91721108
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isohexyloxy-
CID 91737021
Silane, diethylbutoxy(2-ethylhexyloxy)-
CID 91739206
Silane, diethyl(2-ethylhexyloxy)pentyloxy-
CID 91740267
Silane, diethyl(2-ethylhexyloxy)isohexyloxy-
CID 91741054
Silane, diethyl(2-ethylhexyloxy)hexyloxy-
CID 91741068
Tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane
CID 146163842
5-Butyl-5-ethyl-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanonane
CID 91696684
2,2,8,8-Tetramethyl-5-propyl-5-{[(trimethylsilyl)oxy]methyl}-3,7-dioxa-2,8-disilanonane
CID 91730574
Tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
CID 10925150
Butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
CID 19076221

Frequently Asked Questions

What is the IUPAC name of triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane?
The IUPAC name of triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane (CID 87775366) is triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane.
What is the SMILES notation for triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane?
The canonical SMILES for triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane is CC[Si](CC)(CC)OCC(CO[Si](CC)(CC)CC)(CC(C)C)CC(C)C.
What is the InChIKey of triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane?
The InChIKey is WASULXZZPOVTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O2Si2/c1-11-26(12-2,13-3)24-19-23(17-21(7)8,18-22(9)10)20-25-27(14-4,15-5)16-6/h21-22H,11-20H2,1-10H3.
What are the key properties of triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane?
triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane has a molecular weight of 416.84 g/mol, XLogP of 8.11, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-methyl-2-(2-methylpropyl)-2-(triethylsilyloxymethyl)pentoxy]silane is sourced from PubChem (CID 87775366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).