3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile

C12H17NO2Si — CID 101209370

IUPAC3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(C#N)(CO)c1ccccc1
InChIInChI=1S/C12H17NO2Si/c1-16(2,3)15-12(9-13,10-14)11-7-5-4-6-8-11/h4-8,14H,10H2,1-3H3
InChIKeyAOJYNPMXZPHVKC-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.25
Rot. Bonds4

About 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile

3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile (PubChem CID 101209370) has the molecular formula C12H17NO2Si and a molecular weight of 235.36 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
PubChem CID101209370
Molecular FormulaC12H17NO2Si
Molecular Weight235.36 g/mol
Exact Mass235.10
IUPAC Name3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(C#N)(CO)c1ccccc1
InChIInChI=1S/C12H17NO2Si/c1-16(2,3)15-12(9-13,10-14)11-7-5-4-6-8-11/h4-8,14H,10H2,1-3H3
InChIKeyAOJYNPMXZPHVKC-UHFFFAOYSA-N
XLogP2.25
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(+-)-2-Phenyl-1,2-propanediol
CID 97867
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
(2S)-2-Hydroxy-2-phenylpropanenitrile
CID 11040841
3-Hydroxy-3-phenylbutanenitrile
CID 539233
AC1LD6YE
CID 643316
2-(Tert-butyldimethylsilyl)oxy-1-phenylethanol
CID 11391116
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-phenylacetonitrile
CID 5325032
3-Phenyl-3-trimethylsilyloxypropanenitrile
CID 10987773
(r)-2-Hydroxy-2-phenylpropanenitrile
CID 11019011
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile (CID 101209370) is 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile is C[Si](C)(C)OC(C#N)(CO)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
The InChIKey is AOJYNPMXZPHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2Si/c1-16(2,3)15-12(9-13,10-14)11-7-5-4-6-8-11/h4-8,14H,10H2,1-3H3.
What are the key properties of 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile has a molecular weight of 235.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 101209370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).