4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

C12H10N4O2 — CID 121013966

IUPAC4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESCOC1=C(OC)CC(C#N)(C#N)C(C#N)(C#N)C1
InChIInChI=1S/C12H10N4O2/c1-17-9-3-11(5-13,6-14)12(7-15,8-16)4-10(9)18-2/h3-4H2,1-2H3
InChIKeyWYQMVXMJCRGJEE-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.35
Rot. Bonds2

About 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (PubChem CID 121013966) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
PubChem CID121013966
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESCOC1=C(OC)CC(C#N)(C#N)C(C#N)(C#N)C1
InChIInChI=1S/C12H10N4O2/c1-17-9-3-11(5-13,6-14)12(7-15,8-16)4-10(9)18-2/h3-4H2,1-2H3
InChIKeyWYQMVXMJCRGJEE-UHFFFAOYSA-N
XLogP1.35
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The IUPAC name of 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (CID 121013966) is 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is COC1=C(OC)CC(C#N)(C#N)C(C#N)(C#N)C1.
What is the InChIKey of 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The InChIKey is WYQMVXMJCRGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-17-9-3-11(5-13,6-14)12(7-15,8-16)4-10(9)18-2/h3-4H2,1-2H3.
What are the key properties of 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 121013966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).