(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile

C13H19NOSi — CID 12024907

IUPAC(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H19NOSi/c1-13(11-14,15-16(2,3)4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/t13-/m0/s1
InChIKeyCVFDPEOQRYXHDJ-ZDUSSCGKSA-N
MW233.39 g/mol
LogP3.36
Rot. Bonds4

About (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile

(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile (PubChem CID 12024907) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
PubChem CID12024907
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H19NOSi/c1-13(11-14,15-16(2,3)4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/t13-/m0/s1
InChIKeyCVFDPEOQRYXHDJ-ZDUSSCGKSA-N
XLogP3.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.36
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

2-benzyl-2-methylbutanenitrile
CID 65377862
2-benzyl-3,3,3-trifluoro-2-methylpropanenitrile
CID 122229682
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene
CID 88755300
methyl 2-cyano-2-methyl-3-phenylpropanoate
CID 11790291
2,2-difluoro-3-phenylpropanenitrile
CID 83855334
2-benzyl-2-hydroxypropanedinitrile
CID 15525239
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
3-benzyl-3-methyl-4-methylidenehexanenitrile
CID 139524503
trimethylsilyl 2,2-dimethyl-3-phenylpropanoate
CID 102019506
2-benzyl-2-ethenylpropanedinitrile
CID 54049686
(2S)-2-bromo-2-chloro-3-phenylpropanenitrile
CID 164682324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile (CID 12024907) is (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile is C[C@@](C#N)(Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile?
The InChIKey is CVFDPEOQRYXHDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-13(11-14,15-16(2,3)4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile?
(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile has a molecular weight of 233.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 12024907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).