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

C13H14N4OSi — CID 134980424

IUPAC3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESC[Si](C)(C)OC1C=CCC(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C13H14N4OSi/c1-19(2,3)18-11-5-4-6-12(7-14,8-15)13(11,9-16)10-17/h4-5,11H,6H2,1-3H3
InChIKeyVPPLECPVQYPOHR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.23
Rot. Bonds2

About 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (PubChem CID 134980424) has the molecular formula C13H14N4OSi and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
PubChem CID134980424
Molecular FormulaC13H14N4OSi
Molecular Weight270.37 g/mol
Exact Mass270.09
IUPAC Name3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESC[Si](C)(C)OC1C=CCC(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C13H14N4OSi/c1-19(2,3)18-11-5-4-6-12(7-14,8-15)13(11,9-16)10-17/h4-5,11H,6H2,1-3H3
InChIKeyVPPLECPVQYPOHR-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The IUPAC name of 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (CID 134980424) is 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is C[Si](C)(C)OC1C=CCC(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The InChIKey is VPPLECPVQYPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OSi/c1-19(2,3)18-11-5-4-6-12(7-14,8-15)13(11,9-16)10-17/h4-5,11H,6H2,1-3H3.
What are the key properties of 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile has a molecular weight of 270.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 134980424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).