2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile

C16H20N2 — CID 19695155

IUPAC2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile
SMILESCCc1c(C#N)c(CC)c(CC)c(C#N)c1CC
InChIInChI=1S/C16H20N2/c1-5-11-12(6-2)16(10-18)14(8-4)13(7-3)15(11)9-17/h5-8H2,1-4H3
InChIKeyRDGZSZUMNHSPHN-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.68
Rot. Bonds4

About 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile

2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile (PubChem CID 19695155) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile
PubChem CID19695155
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile
SMILESCCc1c(C#N)c(CC)c(CC)c(C#N)c1CC
InChIInChI=1S/C16H20N2/c1-5-11-12(6-2)16(10-18)14(8-4)13(7-3)15(11)9-17/h5-8H2,1-4H3
InChIKeyRDGZSZUMNHSPHN-UHFFFAOYSA-N
XLogP3.68
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile (CID 19695155) is 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile is CCc1c(C#N)c(CC)c(CC)c(C#N)c1CC.
What is the InChIKey of 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile?
The InChIKey is RDGZSZUMNHSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-5-11-12(6-2)16(10-18)14(8-4)13(7-3)15(11)9-17/h5-8H2,1-4H3.
What are the key properties of 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile?
2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetraethylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 19695155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).