2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile

C12H27NOSi2 — CID 14643781

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H27NOSi2/c1-11(2,3)16(8,9)14-12(4,10-13)15(5,6)7/h1-9H3
InChIKeyMGMSFHNDEPAFIK-UHFFFAOYSA-N
MW257.53 g/mol
LogP4.17
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile

2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile (PubChem CID 14643781) has the molecular formula C12H27NOSi2 and a molecular weight of 257.53 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile
PubChem CID14643781
Molecular FormulaC12H27NOSi2
Molecular Weight257.53 g/mol
Exact Mass257.16
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H27NOSi2/c1-11(2,3)16(8,9)14-12(4,10-13)15(5,6)7/h1-9H3
InChIKeyMGMSFHNDEPAFIK-UHFFFAOYSA-N
XLogP4.17
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.53
LogP ≤ 54.17
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

(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile
CID 102246693
(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile
CID 102246695
tert-butyl-(2,3-dimethylbut-3-en-2-yloxy)-dimethylsilane
CID 12568514
magnesium;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;bromide
CID 56839188
2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-amine
CID 163618882
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
2,2,2-tris(trimethylsilyl)acetonitrile
CID 19831434
CID 89232701
CID 89232701
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-2,2-dicyano-1-phenylethyl]-4-methylbenzenesulfinamide
CID 102010983

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile (CID 14643781) is 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile is CC(C#N)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile?
The InChIKey is MGMSFHNDEPAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOSi2/c1-11(2,3)16(8,9)14-12(4,10-13)15(5,6)7/h1-9H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile?
2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile has a molecular weight of 257.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile is sourced from PubChem (CID 14643781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).