(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile

C12H17NOSi — CID 102240577

IUPAC(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCc1ccccc1[C@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C12H17NOSi/c1-10-7-5-6-8-11(10)12(9-13)14-15(2,3)4/h5-8,12H,1-4H3/t12-/m0/s1
InChIKeyZWIHLRRBWNXPKX-LBPRGKRZSA-N
MW219.36 g/mol
LogP3.41
Rot. Bonds3

About (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile

(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 102240577) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID102240577
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCc1ccccc1[C@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C12H17NOSi/c1-10-7-5-6-8-11(10)12(9-13)14-15(2,3)4/h5-8,12H,1-4H3/t12-/m0/s1
InChIKeyZWIHLRRBWNXPKX-LBPRGKRZSA-N
XLogP3.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 53.41
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

Benzyloxytrimethylsilane
CID 518982
2-Methoxy-2-phenylacetonitrile
CID 320056
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
(3,4-Dihydro-1-naphthyloxy)trimethylsilane
CID 4245325
gamma-Methoxybenzenebutanenitrile
CID 97991
gamma-(1-Methylethoxy)benzenebutanenitrile
CID 97973
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1,2-Ethanediol, phenyl, bis-TMS
CID 530367
1-Propanol, 1-phenyl, TMS
CID 530376
2-(Methoxymethyl)benzonitrile
CID 13743590
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile (CID 102240577) is (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile is Cc1ccccc1[C@H](C#N)O[Si](C)(C)C.
What is the InChIKey of (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is ZWIHLRRBWNXPKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-10-7-5-6-8-11(10)12(9-13)14-15(2,3)4/h5-8,12H,1-4H3/t12-/m0/s1.
What are the key properties of (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile?
(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 219.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 102240577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).