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

C15H20N2 — CID 89363364

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene
SMILESC=C/C=C\C(=C/C)\N=N\C(\C=C/C)=C\C=C\C
InChIInChI=1S/C15H20N2/c1-5-9-12-14(8-4)16-17-15(11-7-3)13-10-6-2/h5-13H,1H2,2-4H3/b10-6+,11-7-,12-9-,14-8+,15-13+,17-16+
InChIKeyXQIWEDVEZGFLLM-FOBNFSQOSA-N
MW228.34 g/mol
LogP5.12
Rot. Bonds6

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

[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene (PubChem CID 89363364) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene
PubChem CID89363364
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene
SMILESC=C/C=C\C(=C/C)\N=N\C(\C=C/C)=C\C=C\C
InChIInChI=1S/C15H20N2/c1-5-9-12-14(8-4)16-17-15(11-7-3)13-10-6-2/h5-13H,1H2,2-4H3/b10-6+,11-7-,12-9-,14-8+,15-13+,17-16+
InChIKeyXQIWEDVEZGFLLM-FOBNFSQOSA-N
XLogP5.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.34
LogP ≤ 55.12
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)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene (CID 89363364) is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene is C=C/C=C\C(=C/C)\N=N\C(\C=C/C)=C\C=C\C.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene?
The InChIKey is XQIWEDVEZGFLLM-FOBNFSQOSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-9-12-14(8-4)16-17-15(11-7-3)13-10-6-2/h5-13H,1H2,2-4H3/b10-6+,11-7-,12-9-,14-8+,15-13+,17-16+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene?
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene has a molecular weight of 228.34 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene is sourced from PubChem (CID 89363364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).