[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene

C14H22N2 — CID 155699452

IUPAC[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene
SMILESC/C=C\C(=C/CC)\N=N/C(/C=C\CC)=C/C
InChIInChI=1S/C14H22N2/c1-5-9-12-13(8-4)15-16-14(10-6-2)11-7-3/h6,8-12H,5,7H2,1-4H3/b10-6-,12-9-,13-8+,14-11+,16-15+
InChIKeyRMZQBSCOPNKVII-KRHQAVLFSA-N
MW218.34 g/mol
LogP5.18
Rot. Bonds6

About [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene

[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene (PubChem CID 155699452) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene
PubChem CID155699452
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene
SMILESC/C=C\C(=C/CC)\N=N/C(/C=C\CC)=C/C
InChIInChI=1S/C14H22N2/c1-5-9-12-13(8-4)15-16-14(10-6-2)11-7-3/h6,8-12H,5,7H2,1-4H3/b10-6-,12-9-,13-8+,14-11+,16-15+
InChIKeyRMZQBSCOPNKVII-KRHQAVLFSA-N
XLogP5.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.34
LogP ≤ 55.18
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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Related Compounds

[(2E,4E)-4-(fluoromethyl)hepta-2,4,6-trien-3-yl]-methyldiazene
CID 118543999
N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine
CID 123513103
5,7,12,14-Tetramethyl-tetraaza[14]annulene
CID 129852918
2-Azidocyclopenta-1,3-diene
CID 134847862
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
CID 69059164
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
CID 88964772
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
CID 88991335
[(3E,5Z)-octa-3,5-dien-4-yl]diazene
CID 89030933
[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]diazene
CID 89278503
(3E,5E)-3-azido-6-methylocta-3,5-diene
CID 89301366

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene?
The IUPAC name of [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene (CID 155699452) is [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene.
What is the SMILES notation for [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene?
The canonical SMILES for [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene is C/C=C\C(=C/CC)\N=N/C(/C=C\CC)=C/C.
What is the InChIKey of [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene?
The InChIKey is RMZQBSCOPNKVII-KRHQAVLFSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-9-12-13(8-4)15-16-14(10-6-2)11-7-3/h6,8-12H,5,7H2,1-4H3/b10-6-,12-9-,13-8+,14-11+,16-15+.
What are the key properties of [(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene?
[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene has a molecular weight of 218.34 g/mol, XLogP of 5.18, 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-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene is sourced from PubChem (CID 155699452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).