4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile

C11H19NOSi — CID 102012979

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CC=C1C#N
InChIInChI=1S/C11H19NOSi/c1-11(2,3)14(4,5)13-10-7-6-9(10)8-12/h6,10H,7H2,1-5H3
InChIKeyLTDYOWQARGAXGH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.23
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile

4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile (PubChem CID 102012979) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
PubChem CID102012979
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CC=C1C#N
InChIInChI=1S/C11H19NOSi/c1-11(2,3)14(4,5)13-10-7-6-9(10)8-12/h6,10H,7H2,1-5H3
InChIKeyLTDYOWQARGAXGH-UHFFFAOYSA-N
XLogP3.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.23
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

(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile
CID 11277160
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyano-6-fluoro-3,4-dihydronaphthalen-1-yl] trifluoromethanesulfonate
CID 158606709
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile
CID 160886295
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 142783605
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
CID 68733627
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile (CID 102012979) is 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile is CC(C)(C)[Si](C)(C)OC1CC=C1C#N.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile?
The InChIKey is LTDYOWQARGAXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOSi/c1-11(2,3)14(4,5)13-10-7-6-9(10)8-12/h6,10H,7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile?
4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile has a molecular weight of 209.36 g/mol, XLogP of 3.23, 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]oxycyclobutene-1-carbonitrile is sourced from PubChem (CID 102012979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).