(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene

C15H18N2 — CID 91269235

IUPAC(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
SMILESC=C/C=C\C(=C/CC)\N=N\c1ccc(C)cc1
InChIInChI=1S/C15H18N2/c1-4-6-8-14(7-5-2)16-17-15-11-9-13(3)10-12-15/h4,6-12H,1,5H2,2-3H3/b8-6-,14-7+,17-16+
InChIKeyDQZUEUTVKFKDAJ-OVTIYDSCSA-N
MW226.32 g/mol
LogP5.11
Rot. Bonds5

About (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene

(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene (PubChem CID 91269235) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene.

Molecular Properties

Compound Name(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
PubChem CID91269235
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
SMILESC=C/C=C\C(=C/CC)\N=N\c1ccc(C)cc1
InChIInChI=1S/C15H18N2/c1-4-6-8-14(7-5-2)16-17-15-11-9-13(3)10-12-15/h4,6-12H,1,5H2,2-3H3/b8-6-,14-7+,17-16+
InChIKeyDQZUEUTVKFKDAJ-OVTIYDSCSA-N
XLogP5.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.32
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene 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 (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
The IUPAC name of (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene (CID 91269235) is (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene.
What is the SMILES notation for (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
The canonical SMILES for (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene is C=C/C=C\C(=C/CC)\N=N\c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
The InChIKey is DQZUEUTVKFKDAJ-OVTIYDSCSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-6-8-14(7-5-2)16-17-15-11-9-13(3)10-12-15/h4,6-12H,1,5H2,2-3H3/b8-6-,14-7+,17-16+.
What are the key properties of (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
(4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene has a molecular weight of 226.32 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene is sourced from PubChem (CID 91269235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).