[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene

C8H12N2 — CID 163814265

IUPAC[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene
SMILES[H]/N=N/C(/C=C\C=C\C)=C/C
InChIInChI=1S/C8H12N2/c1-3-5-6-7-8(4-2)10-9/h3-7,9H,1-2H3/b5-3+,7-6-,8-4+,10-9+
InChIKeyNPYKMDUNKIGGMX-MLWCSDOJSA-N
MW136.20 g/mol
LogP3.05
Rot. Bonds3

About [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene

[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene (PubChem CID 163814265) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene.

Molecular Properties

Compound Name[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene
PubChem CID163814265
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene
SMILES[H]/N=N/C(/C=C\C=C\C)=C/C
InChIInChI=1S/C8H12N2/c1-3-5-6-7-8(4-2)10-9/h3-7,9H,1-2H3/b5-3+,7-6-,8-4+,10-9+
InChIKeyNPYKMDUNKIGGMX-MLWCSDOJSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
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,6E)-octa-2,4,6-trien-3-yl]diazene?
The IUPAC name of [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene (CID 163814265) is [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene.
What is the SMILES notation for [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene?
The canonical SMILES for [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene is [H]/N=N/C(/C=C\C=C\C)=C/C.
What is the InChIKey of [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene?
The InChIKey is NPYKMDUNKIGGMX-MLWCSDOJSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-6-7-8(4-2)10-9/h3-7,9H,1-2H3/b5-3+,7-6-,8-4+,10-9+.
What are the key properties of [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene?
[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene has a molecular weight of 136.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene is sourced from PubChem (CID 163814265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).