(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile

C9H19NO2Si — CID 101034537

IUPAC(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)C#N
InChIInChI=1S/C9H19NO2Si/c1-9(2,3)13(4,5)12-7-8(11)6-10/h8,11H,7H2,1-5H3/t8-/m1/s1
InChIKeyPMUZSYGVQYQDAA-MRVPVSSYSA-N
MW201.34 g/mol
LogP1.89
Rot. Bonds3

About (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile (PubChem CID 101034537) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile.

Molecular Properties

Compound Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
PubChem CID101034537
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)C#N
InChIInChI=1S/C9H19NO2Si/c1-9(2,3)13(4,5)12-7-8(11)6-10/h8,11H,7H2,1-5H3/t8-/m1/s1
InChIKeyPMUZSYGVQYQDAA-MRVPVSSYSA-N
XLogP1.89
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-3-hydroxybutanenitrile
CID 66975505
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile?
The IUPAC name of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile (CID 101034537) is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile.
What is the SMILES notation for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile?
The canonical SMILES for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile is CC(C)(C)[Si](C)(C)OC[C@H](O)C#N.
What is the InChIKey of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile?
The InChIKey is PMUZSYGVQYQDAA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-9(2,3)13(4,5)12-7-8(11)6-10/h8,11H,7H2,1-5H3/t8-/m1/s1.
What are the key properties of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile?
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile has a molecular weight of 201.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile is sourced from PubChem (CID 101034537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).