(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile

C17H29N — CID 101430362

IUPAC(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
SMILESCCC/C=C(CCC)/C(CCC)=C(\C#N)CCC
InChIInChI=1S/C17H29N/c1-5-9-13-15(10-6-2)17(12-8-4)16(14-18)11-7-3/h13H,5-12H2,1-4H3/b15-13+,17-16-
InChIKeyAEJYLXLIOGUNNN-NPALGEPZSA-N
MW247.43 g/mol
LogP5.93
Rot. Bonds9

About (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile

(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile (PubChem CID 101430362) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
PubChem CID101430362
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
SMILESCCC/C=C(CCC)/C(CCC)=C(\C#N)CCC
InChIInChI=1S/C17H29N/c1-5-9-13-15(10-6-2)17(12-8-4)16(14-18)11-7-3/h13H,5-12H2,1-4H3/b15-13+,17-16-
InChIKeyAEJYLXLIOGUNNN-NPALGEPZSA-N
XLogP5.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile 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 (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile (CID 101430362) is (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile is CCC/C=C(CCC)/C(CCC)=C(\C#N)CCC.
What is the InChIKey of (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile?
The InChIKey is AEJYLXLIOGUNNN-NPALGEPZSA-N. The full InChI is InChI=1S/C17H29N/c1-5-9-13-15(10-6-2)17(12-8-4)16(14-18)11-7-3/h13H,5-12H2,1-4H3/b15-13+,17-16-.
What are the key properties of (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile?
(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile has a molecular weight of 247.43 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile is sourced from PubChem (CID 101430362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).