[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene

C14H18N2 — CID 126761454

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene
SMILESC=C/C=C\C(=C/C)\N=N\C(\C=C/C)=C\C=C
InChIInChI=1S/C14H18N2/c1-5-9-12-13(8-4)15-16-14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+,16-15+
InChIKeyDGTBMYZMSDGKEW-LPMFTOHVSA-N
MW214.31 g/mol
LogP4.73
Rot. Bonds6

About [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene

[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene (PubChem CID 126761454) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene
PubChem CID126761454
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene
SMILESC=C/C=C\C(=C/C)\N=N\C(\C=C/C)=C\C=C
InChIInChI=1S/C14H18N2/c1-5-9-12-13(8-4)15-16-14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+,16-15+
InChIKeyDGTBMYZMSDGKEW-LPMFTOHVSA-N
XLogP4.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.73
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]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene (CID 126761454) is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene is C=C/C=C\C(=C/C)\N=N\C(\C=C/C)=C\C=C.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene?
The InChIKey is DGTBMYZMSDGKEW-LPMFTOHVSA-N. The full InChI is InChI=1S/C14H18N2/c1-5-9-12-13(8-4)15-16-14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+,16-15+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene?
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene has a molecular weight of 214.31 g/mol, XLogP of 4.73, 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]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene is sourced from PubChem (CID 126761454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).