(2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile

C8H8N2 — CID 5371890

IUPAC(2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile
SMILESCC(=C/C#N)/C(C)=C\C#N
InChIInChI=1S/C8H8N2/c1-7(3-5-9)8(2)4-6-10/h3-4H,1-2H3/b7-3-,8-4-
InChIKeyNVTXFMSSZHCUII-VHOZIDCHSA-N
MW132.17 g/mol
LogP1.93
Rot. Bonds1

About (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile

(2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile (PubChem CID 5371890) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile.

Molecular Properties

Compound Name(2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile
PubChem CID5371890
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name(2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile
SMILESCC(=C/C#N)/C(C)=C\C#N
InChIInChI=1S/C8H8N2/c1-7(3-5-9)8(2)4-6-10/h3-4H,1-2H3/b7-3-,8-4-
InChIKeyNVTXFMSSZHCUII-VHOZIDCHSA-N
XLogP1.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2-(Cyclohepta-1,3,5-trien-1-ylmethylidene)propanedinitrile
CID 15739128
(2Z,4E)-6-methylhepta-2,4-dienenitrile
CID 102381166
2-Cyclopenta-2,4-dien-1-ylidenepropanedinitrile
CID 19901251
4-Methyl-2-methylidenepent-3-enenitrile
CID 21555220
2-[4-(Cyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 21705314
8-Dicyanoquinodimethane
CID 22556345
Dicyano-octadiene
CID 134686838
2-Ethylidene-5-fluorohexa-3,5-dienenitrile
CID 90948259
2-Ethylidene-4-fluoro-5-methylhexa-3,5-dienenitrile
CID 91202374

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile?
The IUPAC name of (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile (CID 5371890) is (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile.
What is the SMILES notation for (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile?
The canonical SMILES for (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile is CC(=C/C#N)/C(C)=C\C#N.
What is the InChIKey of (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile?
The InChIKey is NVTXFMSSZHCUII-VHOZIDCHSA-N. The full InChI is InChI=1S/C8H8N2/c1-7(3-5-9)8(2)4-6-10/h3-4H,1-2H3/b7-3-,8-4-.
What are the key properties of (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile?
(2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile has a molecular weight of 132.17 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,4-dimethylhexa-2,4-dienedinitrile is sourced from PubChem (CID 5371890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).