2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate

C22H27Cl3O4Si — CID 70879739

IUPAC2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate
SMILESCC(C)(C)[Si](OCCOCC(=O)OCC(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27Cl3O4Si/c1-21(2,3)30(18-10-6-4-7-11-18,19-12-8-5-9-13-19)29-15-14-27-16-20(26)28-17-22(23,24)25/h4-13H,14-17H2,1-3H3
InChIKeyDWNCXEFCHGGXNI-UHFFFAOYSA-N
MW489.90 g/mol
LogP4.49
Rot. Bonds9

About 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate

2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate (PubChem CID 70879739) has the molecular formula C22H27Cl3O4Si and a molecular weight of 489.90 g/mol. Its IUPAC name is 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate.

Molecular Properties

Compound Name2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate
PubChem CID70879739
Molecular FormulaC22H27Cl3O4Si
Molecular Weight489.90 g/mol
Exact Mass488.07
IUPAC Name2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate
SMILESCC(C)(C)[Si](OCCOCC(=O)OCC(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27Cl3O4Si/c1-21(2,3)30(18-10-6-4-7-11-18,19-12-8-5-9-13-19)29-15-14-27-16-20(26)28-17-22(23,24)25/h4-13H,14-17H2,1-3H3
InChIKeyDWNCXEFCHGGXNI-UHFFFAOYSA-N
XLogP4.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
2,2,2-trichloroethyl 2-[4-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxy-2-phenylacetate
CID 143649602
2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate
CID 11388241
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate?
The IUPAC name of 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate (CID 70879739) is 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate.
What is the SMILES notation for 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate?
The canonical SMILES for 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate is CC(C)(C)[Si](OCCOCC(=O)OCC(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate?
The InChIKey is DWNCXEFCHGGXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl3O4Si/c1-21(2,3)30(18-10-6-4-7-11-18,19-12-8-5-9-13-19)29-15-14-27-16-20(26)28-17-22(23,24)25/h4-13H,14-17H2,1-3H3.
What are the key properties of 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate?
2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate has a molecular weight of 489.90 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate is sourced from PubChem (CID 70879739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).