2-chlorohex-5-en-2-yl(phenyl)diazene

C12H15ClN2 — CID 102228915

IUPAC2-chlorohex-5-en-2-yl(phenyl)diazene
SMILESC=CCCC(C)(Cl)/N=N/c1ccccc1
InChIInChI=1S/C12H15ClN2/c1-3-4-10-12(2,13)15-14-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3/b15-14+
InChIKeyNCHXVQBZWOMUQJ-CCEZHUSRSA-N
MW222.72 g/mol
LogP4.69
Rot. Bonds5

About 2-chlorohex-5-en-2-yl(phenyl)diazene

2-chlorohex-5-en-2-yl(phenyl)diazene (PubChem CID 102228915) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chlorohex-5-en-2-yl(phenyl)diazene.

Molecular Properties

Compound Name2-chlorohex-5-en-2-yl(phenyl)diazene
PubChem CID102228915
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chlorohex-5-en-2-yl(phenyl)diazene
SMILESC=CCCC(C)(Cl)/N=N/c1ccccc1
InChIInChI=1S/C12H15ClN2/c1-3-4-10-12(2,13)15-14-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3/b15-14+
InChIKeyNCHXVQBZWOMUQJ-CCEZHUSRSA-N
XLogP4.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl(2-chlorohex-5-en-2-yl)diazene
CID 21454768
2-methylbut-3-en-2-yl(phenyl)diazene
CID 14940485
2-methyl-2-phenyldiazenylpropanedinitrile
CID 23618089
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
1,1-diphenylpent-4-en-1-amine
CID 102295553
3-methyl-3-phenylhept-6-en-2-one
CID 101199283
(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene
CID 50908467
bis(phenyldiazenyl)methanediol
CID 67830201
(1Z,3R)-2-bromo-3-methyl-1-phenylhepta-1,6-dien-3-ol
CID 57342153
1-bromo-3-methyl-3-phenylhept-6-en-2-one
CID 167504728
1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
CID 104656378
3-methylhexa-1,5-dien-3-yl(naphthalen-2-yl)diazene
CID 145441469

Frequently Asked Questions

What is the IUPAC name of 2-chlorohex-5-en-2-yl(phenyl)diazene?
The IUPAC name of 2-chlorohex-5-en-2-yl(phenyl)diazene (CID 102228915) is 2-chlorohex-5-en-2-yl(phenyl)diazene.
What is the SMILES notation for 2-chlorohex-5-en-2-yl(phenyl)diazene?
The canonical SMILES for 2-chlorohex-5-en-2-yl(phenyl)diazene is C=CCCC(C)(Cl)/N=N/c1ccccc1.
What is the InChIKey of 2-chlorohex-5-en-2-yl(phenyl)diazene?
The InChIKey is NCHXVQBZWOMUQJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-4-10-12(2,13)15-14-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3/b15-14+.
What are the key properties of 2-chlorohex-5-en-2-yl(phenyl)diazene?
2-chlorohex-5-en-2-yl(phenyl)diazene has a molecular weight of 222.72 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorohex-5-en-2-yl(phenyl)diazene is sourced from PubChem (CID 102228915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).