1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate

C15H23N2O2Si- — CID 134856320

IUPAC1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate
SMILESCC(C)(C)[Si](C)(C)OC(C#N)(C#N)C1([O-])C=CCCC1
InChIInChI=1S/C15H23N2O2Si/c1-13(2,3)20(4,5)19-15(11-16,12-17)14(18)9-7-6-8-10-14/h7,9H,6,8,10H2,1-5H3/q-1
InChIKeyBFEPLXIQFZBIMC-UHFFFAOYSA-N
MW291.45 g/mol
LogP2.63
Rot. Bonds3

About 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate

1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate (PubChem CID 134856320) has the molecular formula C15H23N2O2Si- and a molecular weight of 291.45 g/mol. Its IUPAC name is 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate.

Molecular Properties

Compound Name1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate
PubChem CID134856320
Molecular FormulaC15H23N2O2Si-
Molecular Weight291.45 g/mol
Exact Mass291.15
IUPAC Name1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate
SMILESCC(C)(C)[Si](C)(C)OC(C#N)(C#N)C1([O-])C=CCCC1
InChIInChI=1S/C15H23N2O2Si/c1-13(2,3)20(4,5)19-15(11-16,12-17)14(18)9-7-6-8-10-14/h7,9H,6,8,10H2,1-5H3/q-1
InChIKeyBFEPLXIQFZBIMC-UHFFFAOYSA-N
XLogP2.63
TPSA79.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate?
The IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate (CID 134856320) is 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate.
What is the SMILES notation for 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate?
The canonical SMILES for 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate is CC(C)(C)[Si](C)(C)OC(C#N)(C#N)C1([O-])C=CCCC1.
What is the InChIKey of 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate?
The InChIKey is BFEPLXIQFZBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O2Si/c1-13(2,3)20(4,5)19-15(11-16,12-17)14(18)9-7-6-8-10-14/h7,9H,6,8,10H2,1-5H3/q-1.
What are the key properties of 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate?
1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate has a molecular weight of 291.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(dimethyl)silyl]oxy-dicyanomethyl]cyclohex-2-en-1-olate is sourced from PubChem (CID 134856320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).