[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene

C12H21ClN2 — CID 122429537

IUPAC[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene
SMILES[H]/N=N/CCC/C(C)=C/CC/C(C)=C/CCl
InChIInChI=1S/C12H21ClN2/c1-11(7-4-10-15-14)5-3-6-12(2)8-9-13/h5,8,14H,3-4,6-7,9-10H2,1-2H3/b11-5+,12-8+,15-14+
InChIKeyUOWGDGQXQSQLNN-TUHPMXFSSA-N
MW228.77 g/mol
LogP4.71
Rot. Bonds8

About [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene

[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene (PubChem CID 122429537) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene.

Molecular Properties

Compound Name[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene
PubChem CID122429537
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene
SMILES[H]/N=N/CCC/C(C)=C/CC/C(C)=C/CCl
InChIInChI=1S/C12H21ClN2/c1-11(7-4-10-15-14)5-3-6-12(2)8-9-13/h5,8,14H,3-4,6-7,9-10H2,1-2H3/b11-5+,12-8+,15-14+
InChIKeyUOWGDGQXQSQLNN-TUHPMXFSSA-N
XLogP4.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene?
The IUPAC name of [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene (CID 122429537) is [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene.
What is the SMILES notation for [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene?
The canonical SMILES for [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene is [H]/N=N/CCC/C(C)=C/CC/C(C)=C/CCl.
What is the InChIKey of [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene?
The InChIKey is UOWGDGQXQSQLNN-TUHPMXFSSA-N. The full InChI is InChI=1S/C12H21ClN2/c1-11(7-4-10-15-14)5-3-6-12(2)8-9-13/h5,8,14H,3-4,6-7,9-10H2,1-2H3/b11-5+,12-8+,15-14+.
What are the key properties of [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene?
[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene has a molecular weight of 228.77 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene is sourced from PubChem (CID 122429537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).