1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile

C13H23NOSi — CID 86084805

IUPAC1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1(C#N)C=CCCC1
InChIInChI=1S/C13H23NOSi/c1-12(2,3)16(4,5)15-13(11-14)9-7-6-8-10-13/h7,9H,6,8,10H2,1-5H3
InChIKeyOQEWRNQOGSLIKG-UHFFFAOYSA-N
MW237.42 g/mol
LogP4.01
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile

1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile (PubChem CID 86084805) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
PubChem CID86084805
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1(C#N)C=CCCC1
InChIInChI=1S/C13H23NOSi/c1-12(2,3)16(4,5)15-13(11-14)9-7-6-8-10-13/h7,9H,6,8,10H2,1-5H3
InChIKeyOQEWRNQOGSLIKG-UHFFFAOYSA-N
XLogP4.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
2-Bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 86061848
(1R)-2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 101742523
1-[[Tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate
CID 134856320
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
(Z,2R)-2-methyl-2-trimethylsilyloxynon-3-enenitrile
CID 135056615
3-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
CID 135070351
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile
CID 18653743
(R)-tert-butyldimethyl(1-methylcyclohex-2-enyloxy)silane
CID 68008146
Tert-butyl-dimethyl-(1-methylcyclohex-2-en-1-yl)oxysilane
CID 68008147
(4Z,8Z)-1-trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 141683107

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile (CID 86084805) is 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile is CC(C)(C)[Si](C)(C)OC1(C#N)C=CCCC1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
The InChIKey is OQEWRNQOGSLIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-12(2,3)16(4,5)15-13(11-14)9-7-6-8-10-13/h7,9H,6,8,10H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile has a molecular weight of 237.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 86084805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).