4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile

C21H27NOSi — CID 78163046

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
SMILESCC(CC#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27NOSi/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15,17H2,1-4H3
InChIKeyVEQRSALCUYZITO-UHFFFAOYSA-N
MW337.54 g/mol
LogP4.11
Rot. Bonds6

About 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile

4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile (PubChem CID 78163046) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
PubChem CID78163046
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
SMILESCC(CC#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27NOSi/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15,17H2,1-4H3
InChIKeyVEQRSALCUYZITO-UHFFFAOYSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.11
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-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-(cyanomethyl)-4-methylpentyl] acetate
CID 11048409
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile (CID 78163046) is 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile is CC(CC#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
The InChIKey is VEQRSALCUYZITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15,17H2,1-4H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile has a molecular weight of 337.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile is sourced from PubChem (CID 78163046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).