[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene

C8H14N2 — CID 144544290

IUPAC[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene
SMILES[H]/N=N/C=C\C(C)(C)/C=C\C
InChIInChI=1S/C8H14N2/c1-4-5-8(2,3)6-7-10-9/h4-7,9H,1-3H3/b5-4-,7-6-,10-9+
InChIKeyUMDIDQVUVRWSMF-KVEPPTFVSA-N
MW138.21 g/mol
LogP3.13
Rot. Bonds3

About [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene

[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene (PubChem CID 144544290) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene.

Molecular Properties

Compound Name[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene
PubChem CID144544290
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene
SMILES[H]/N=N/C=C\C(C)(C)/C=C\C
InChIInChI=1S/C8H14N2/c1-4-5-8(2,3)6-7-10-9/h4-7,9H,1-3H3/b5-4-,7-6-,10-9+
InChIKeyUMDIDQVUVRWSMF-KVEPPTFVSA-N
XLogP3.13
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 53.13
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene?
The IUPAC name of [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene (CID 144544290) is [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene.
What is the SMILES notation for [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene?
The canonical SMILES for [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene is [H]/N=N/C=C\C(C)(C)/C=C\C.
What is the InChIKey of [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene?
The InChIKey is UMDIDQVUVRWSMF-KVEPPTFVSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-8(2,3)6-7-10-9/h4-7,9H,1-3H3/b5-4-,7-6-,10-9+.
What are the key properties of [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene?
[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene has a molecular weight of 138.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene is sourced from PubChem (CID 144544290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).