4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

C13H14N4OSi — CID 134992421

IUPAC4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESC[Si](C)(C)OC1=CCC(C#N)(C#N)C(C#N)(C#N)C1
InChIInChI=1S/C13H14N4OSi/c1-19(2,3)18-11-4-5-12(7-14,8-15)13(6-11,9-16)10-17/h4H,5-6H2,1-3H3
InChIKeyURCAYRCOQVKPBZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.58
Rot. Bonds2

About 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (PubChem CID 134992421) has the molecular formula C13H14N4OSi and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
PubChem CID134992421
Molecular FormulaC13H14N4OSi
Molecular Weight270.37 g/mol
Exact Mass270.09
IUPAC Name4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESC[Si](C)(C)OC1=CCC(C#N)(C#N)C(C#N)(C#N)C1
InChIInChI=1S/C13H14N4OSi/c1-19(2,3)18-11-4-5-12(7-14,8-15)13(6-11,9-16)10-17/h4H,5-6H2,1-3H3
InChIKeyURCAYRCOQVKPBZ-UHFFFAOYSA-N
XLogP2.58
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

carbon dioxide;(4-chloro-4-methylcyclohexen-1-yl)oxy-trimethylsilane
CID 162029724
2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile
CID 11207183
4-fluoro-5-methoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
CID 101198119
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
CID 25208498
3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
CID 10924629
[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
CID 102257492
spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile
CID 155929360
10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile
CID 4544384
trimethyl-(2-trimethylsilyloxycyclohexa-1,4-dien-1-yl)oxysilane
CID 56999205
3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile
CID 11816073
4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
CID 65085113

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The IUPAC name of 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (CID 134992421) is 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is C[Si](C)(C)OC1=CCC(C#N)(C#N)C(C#N)(C#N)C1.
What is the InChIKey of 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The InChIKey is URCAYRCOQVKPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OSi/c1-19(2,3)18-11-4-5-12(7-14,8-15)13(6-11,9-16)10-17/h4H,5-6H2,1-3H3.
What are the key properties of 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile has a molecular weight of 270.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 134992421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).