4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile

C15H23NOSi — CID 134847052

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C#N
InChIInChI=1S/C15H23NOSi/c1-11-8-13(9-12(2)14(11)10-16)17-18(6,7)15(3,4)5/h8-9H,1-7H3
InChIKeySOMSPQFVQWJZQW-UHFFFAOYSA-N
MW261.44 g/mol
LogP4.56
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile

4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile (PubChem CID 134847052) has the molecular formula C15H23NOSi and a molecular weight of 261.44 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile
PubChem CID134847052
Molecular FormulaC15H23NOSi
Molecular Weight261.44 g/mol
Exact Mass261.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C#N
InChIInChI=1S/C15H23NOSi/c1-11-8-13(9-12(2)14(11)10-16)17-18(6,7)15(3,4)5/h8-9H,1-7H3
InChIKeySOMSPQFVQWJZQW-UHFFFAOYSA-N
XLogP4.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 54.56
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

4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
CID 91727610
tert-butyl-[4-[2-(3,4-dimethylphenyl)ethynyl]phenoxy]-dimethylsilane
CID 102148278
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone
CID 159159611
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
CID 125115821
4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]oxane-4-carbonitrile
CID 140690055
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
CID 167718613
3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzonitrile
CID 167723783

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile (CID 134847052) is 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile is Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C#N.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile?
The InChIKey is SOMSPQFVQWJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOSi/c1-11-8-13(9-12(2)14(11)10-16)17-18(6,7)15(3,4)5/h8-9H,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile?
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile has a molecular weight of 261.44 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile is sourced from PubChem (CID 134847052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).