[(3E,5Z)-octa-3,5-dien-4-yl]diazene

C8H14N2 — CID 89030933

IUPAC[(3E,5Z)-octa-3,5-dien-4-yl]diazene
SMILES[H]/N=N/C(/C=C\CC)=C/CC
InChIInChI=1S/C8H14N2/c1-3-5-7-8(10-9)6-4-2/h5-7,9H,3-4H2,1-2H3/b7-5-,8-6+,10-9+
InChIKeyHRIFJJFIVKBUBV-ANMZKREPSA-N
MW138.21 g/mol
LogP3.28
Rot. Bonds4

About [(3E,5Z)-octa-3,5-dien-4-yl]diazene

[(3E,5Z)-octa-3,5-dien-4-yl]diazene (PubChem CID 89030933) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is [(3E,5Z)-octa-3,5-dien-4-yl]diazene.

Molecular Properties

Compound Name[(3E,5Z)-octa-3,5-dien-4-yl]diazene
PubChem CID89030933
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name[(3E,5Z)-octa-3,5-dien-4-yl]diazene
SMILES[H]/N=N/C(/C=C\CC)=C/CC
InChIInChI=1S/C8H14N2/c1-3-5-7-8(10-9)6-4-2/h5-7,9H,3-4H2,1-2H3/b7-5-,8-6+,10-9+
InChIKeyHRIFJJFIVKBUBV-ANMZKREPSA-N
XLogP3.28
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 53.28
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 [(3E,5Z)-octa-3,5-dien-4-yl]diazene?
The IUPAC name of [(3E,5Z)-octa-3,5-dien-4-yl]diazene (CID 89030933) is [(3E,5Z)-octa-3,5-dien-4-yl]diazene.
What is the SMILES notation for [(3E,5Z)-octa-3,5-dien-4-yl]diazene?
The canonical SMILES for [(3E,5Z)-octa-3,5-dien-4-yl]diazene is [H]/N=N/C(/C=C\CC)=C/CC.
What is the InChIKey of [(3E,5Z)-octa-3,5-dien-4-yl]diazene?
The InChIKey is HRIFJJFIVKBUBV-ANMZKREPSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-7-8(10-9)6-4-2/h5-7,9H,3-4H2,1-2H3/b7-5-,8-6+,10-9+.
What are the key properties of [(3E,5Z)-octa-3,5-dien-4-yl]diazene?
[(3E,5Z)-octa-3,5-dien-4-yl]diazene has a molecular weight of 138.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-octa-3,5-dien-4-yl]diazene is sourced from PubChem (CID 89030933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).