[(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene

C16H20N2 — CID 167096816

IUPAC[(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene
SMILESC=C/C=C\C(C)=C(C=C)\C(C=C)=C(C)\N=N\C=C
InChIInChI=1S/C16H20N2/c1-7-11-12-13(5)15(8-2)16(9-3)14(6)18-17-10-4/h7-12H,1-4H2,5-6H3/b12-11-,15-13+,16-14+,18-17+
InChIKeyCAIOMZYTCGTHQM-QMISZFQHSA-N
MW240.35 g/mol
LogP5.29
Rot. Bonds7

About [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene

[(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene (PubChem CID 167096816) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene.

Molecular Properties

Compound Name[(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene
PubChem CID167096816
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name[(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene
SMILESC=C/C=C\C(C)=C(C=C)\C(C=C)=C(C)\N=N\C=C
InChIInChI=1S/C16H20N2/c1-7-11-12-13(5)15(8-2)16(9-3)14(6)18-17-10-4/h7-12H,1-4H2,5-6H3/b12-11-,15-13+,16-14+,18-17+
InChIKeyCAIOMZYTCGTHQM-QMISZFQHSA-N
XLogP5.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.29
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

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(3E,4Z)-3,4-di(ethylidene)pyridazine
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3-Ethylidene-4-(2-methylbut-2-enylidene)pyridazine
CID 90967966
(3E,4Z)-4-(2-methylprop-2-enylidene)-3-propylidenepyridazine
CID 117904072
3-Prop-2-enylidene-4-propylidenepyridazine
CID 123259661
(4-Methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene
CID 123908546
methyl-[(3Z)-5-methylhexa-3,5-dien-3-yl]diazene
CID 129033363
ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
CID 130369687
3,8-Dimethylidenediazecine
CID 131966621

Frequently Asked Questions

What is the IUPAC name of [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene?
The IUPAC name of [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene (CID 167096816) is [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene.
What is the SMILES notation for [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene?
The canonical SMILES for [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene is C=C/C=C\C(C)=C(C=C)\C(C=C)=C(C)\N=N\C=C.
What is the InChIKey of [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene?
The InChIKey is CAIOMZYTCGTHQM-QMISZFQHSA-N. The full InChI is InChI=1S/C16H20N2/c1-7-11-12-13(5)15(8-2)16(9-3)14(6)18-17-10-4/h7-12H,1-4H2,5-6H3/b12-11-,15-13+,16-14+,18-17+.
What are the key properties of [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene?
[(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene has a molecular weight of 240.35 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E,6Z)-3,4-bis(ethenyl)-5-methylnona-2,4,6,8-tetraen-2-yl]-ethenyldiazene is sourced from PubChem (CID 167096816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).