(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile

C15H23NO2Si — CID 11033169

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc([C@H](C#N)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2Si/c1-15(2,3)19(5,6)18-14(11-16)12-7-9-13(17-4)10-8-12/h7-10,14H,1-6H3/t14-/m0/s1
InChIKeyNMDFRPQKBBPRHB-AWEZNQCLSA-N
MW277.44 g/mol
LogP4.28
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile (PubChem CID 11033169) has the molecular formula C15H23NO2Si and a molecular weight of 277.44 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile
PubChem CID11033169
Molecular FormulaC15H23NO2Si
Molecular Weight277.44 g/mol
Exact Mass277.15
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc([C@H](C#N)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2Si/c1-15(2,3)19(5,6)18-14(11-16)12-7-9-13(17-4)10-8-12/h7-10,14H,1-6H3/t14-/m0/s1
InChIKeyNMDFRPQKBBPRHB-AWEZNQCLSA-N
XLogP4.28
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.28
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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
CID 10912974
2-[tert-butyl(dimethyl)silyl]oxy-2-(2,4,5-trimethoxyphenyl)acetonitrile
CID 11759533
2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-2-[tert-butyl(dimethyl)silyl]oxyacetonitrile
CID 10622163
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
CID 11631217
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
(3S,4R)-3-amino-2-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]pentanenitrile
CID 102094659
4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
CID 10977294
2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 10866844
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 101444869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile (CID 11033169) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile is COc1ccc([C@H](C#N)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is NMDFRPQKBBPRHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2Si/c1-15(2,3)19(5,6)18-14(11-16)12-7-9-13(17-4)10-8-12/h7-10,14H,1-6H3/t14-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 277.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 11033169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).