(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile

C19H31Cl2NO2Si2 — CID 10410565

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile
SMILESCC(C)(C)[Si](C)(C)OCC[C@@](C#N)(O[Si](C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H31Cl2NO2Si2/c1-18(2,3)26(7,8)23-12-11-19(14-22,24-25(4,5)6)15-9-10-16(20)17(21)13-15/h9-10,13H,11-12H2,1-8H3/t19-/m0/s1
InChIKeyOIXIFVFFRGCXMK-IBGZPJMESA-N
MW432.54 g/mol
LogP6.98
Rot. Bonds7

About (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile (PubChem CID 10410565) has the molecular formula C19H31Cl2NO2Si2 and a molecular weight of 432.54 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile
PubChem CID10410565
Molecular FormulaC19H31Cl2NO2Si2
Molecular Weight432.54 g/mol
Exact Mass431.13
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile
SMILESCC(C)(C)[Si](C)(C)OCC[C@@](C#N)(O[Si](C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H31Cl2NO2Si2/c1-18(2,3)26(7,8)23-12-11-19(14-22,24-25(4,5)6)15-9-10-16(20)17(21)13-15/h9-10,13H,11-12H2,1-8H3/t19-/m0/s1
InChIKeyOIXIFVFFRGCXMK-IBGZPJMESA-N
XLogP6.98
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol
CID 10959461
2-(4-Chlorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11436716
2,3-Dichlorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91737120
(2R)-2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11196099
(2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11299766
2-(3-Chlorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11736898
(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile
CID 134956972
Gthokuqkxdenfc-uhfffaoysa-
CID 13691643
2-(3,4-Dichlorophenyl)-2-trimethylsilyloxypropanedinitrile
CID 13180057
(3,4,5-Trichlorophenyl)[(trimethylsilyl)oxy]propanedinitrile
CID 13374928
(3,4-Dichlorophenyl)-trimethylsilanyloxy-acetonitrile
CID 18463541
2-(3,4-Dichlorophenyl)-4-(t-butyldimethylsilyloxy)butyronitrile
CID 18464799

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile (CID 10410565) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile is CC(C)(C)[Si](C)(C)OCC[C@@](C#N)(O[Si](C)(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile?
The InChIKey is OIXIFVFFRGCXMK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31Cl2NO2Si2/c1-18(2,3)26(7,8)23-12-11-19(14-22,24-25(4,5)6)15-9-10-16(20)17(21)13-15/h9-10,13H,11-12H2,1-8H3/t19-/m0/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile has a molecular weight of 432.54 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 10410565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).