[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene

C13H18N2 — CID 145441525

IUPAC[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene
SMILESC/C=C\C(=C/C)\N=N\C1=CC=C(C)CC1
InChIInChI=1S/C13H18N2/c1-4-6-12(5-2)14-15-13-9-7-11(3)8-10-13/h4-7,9H,8,10H2,1-3H3/b6-4-,12-5+,15-14+
InChIKeyQSUUHIYXBYLFOQ-YGULVFPLSA-N
MW202.30 g/mol
LogP4.54
Rot. Bonds3

About [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene

[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene (PubChem CID 145441525) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene.

Molecular Properties

Compound Name[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene
PubChem CID145441525
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene
SMILESC/C=C\C(=C/C)\N=N\C1=CC=C(C)CC1
InChIInChI=1S/C13H18N2/c1-4-6-12(5-2)14-15-13-9-7-11(3)8-10-13/h4-7,9H,8,10H2,1-3H3/b6-4-,12-5+,15-14+
InChIKeyQSUUHIYXBYLFOQ-YGULVFPLSA-N
XLogP4.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.54
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
The IUPAC name of [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene (CID 145441525) is [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene.
What is the SMILES notation for [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
The canonical SMILES for [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene is C/C=C\C(=C/C)\N=N\C1=CC=C(C)CC1.
What is the InChIKey of [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
The InChIKey is QSUUHIYXBYLFOQ-YGULVFPLSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-6-12(5-2)14-15-13-9-7-11(3)8-10-13/h4-7,9H,8,10H2,1-3H3/b6-4-,12-5+,15-14+.
What are the key properties of [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene?
[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene has a molecular weight of 202.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene is sourced from PubChem (CID 145441525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).