4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol

C14H22Cl2O2Si — CID 66783955

IUPAC4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
SMILESCC(O[Si](C)(C)C(C)(C)C)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H22Cl2O2Si/c1-9(18-19(5,6)14(2,3)4)10-7-11(15)13(17)12(16)8-10/h7-9,17H,1-6H3
InChIKeyGTTAVYYWTDUIKI-UHFFFAOYSA-N
MW321.32 g/mol
LogP5.78
Rot. Bonds3

About 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol

4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol (PubChem CID 66783955) has the molecular formula C14H22Cl2O2Si and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
PubChem CID66783955
Molecular FormulaC14H22Cl2O2Si
Molecular Weight321.32 g/mol
Exact Mass320.08
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
SMILESCC(O[Si](C)(C)C(C)(C)C)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H22Cl2O2Si/c1-9(18-19(5,6)14(2,3)4)10-7-11(15)13(17)12(16)8-10/h7-9,17H,1-6H3
InChIKeyGTTAVYYWTDUIKI-UHFFFAOYSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.32
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 89088484
2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 139706247
1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol
CID 70110091
tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
CID 67429299
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
CID 10426239
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
1-(4-bromo-2-chloro-5-isocyanatophenyl)ethoxy-tert-butyl-dimethylsilane
CID 59377870
2,4-bis(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylpentanedioic acid
CID 70600870
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol
CID 19073649
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
CID 10912974
2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
CID 117327992

Frequently Asked Questions

What is the IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol (CID 66783955) is 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol.
What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol is CC(O[Si](C)(C)C(C)(C)C)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol?
The InChIKey is GTTAVYYWTDUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2O2Si/c1-9(18-19(5,6)14(2,3)4)10-7-11(15)13(17)12(16)8-10/h7-9,17H,1-6H3.
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol?
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol has a molecular weight of 321.32 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol is sourced from PubChem (CID 66783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).