(4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one

C19H22N2O — CID 20734254

IUPAC(4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=C/N=N/c2ccc(C)cc2)C=C(C(C)(C)C)C1=O
InChIInChI=1S/C19H22N2O/c1-13-6-8-16(9-7-13)21-20-12-15-10-14(2)18(22)17(11-15)19(3,4)5/h6-12H,1-5H3/b15-12-,21-20+
InChIKeyJTKPWUUVWZRWOH-OMSNLGENSA-N
MW294.40 g/mol
LogP5.46
Rot. Bonds2

About (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one

(4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 20734254) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
PubChem CID20734254
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=C/N=N/c2ccc(C)cc2)C=C(C(C)(C)C)C1=O
InChIInChI=1S/C19H22N2O/c1-13-6-8-16(9-7-13)21-20-12-15-10-14(2)18(22)17(11-15)19(3,4)5/h6-12H,1-5H3/b15-12-,21-20+
InChIKeyJTKPWUUVWZRWOH-OMSNLGENSA-N
XLogP5.46
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 13007847
2-tert-butyl-6-methyl-4-[[(2,3,4,5,6-pentafluorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 59945010
(4Z)-2-tert-butyl-6-[5-[(3E)-5-tert-butyl-3-[[(4-fluorophenyl)diazenyl]methylidene]-6-oxocyclohexa-1,4-dien-1-yl]-2,5-dimethylhexan-2-yl]-4-[[[4-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 163583554
2,6-ditert-butyl-4-[[[3-[3-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenyl]sulfonylphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 58704961
2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-(4-nitrophenyl)phenyl]-3-(4-nitrophenyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 58013350
2,6-ditert-butyl-4-[[[3-chloro-5-[3-chloro-5-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 58704984
2,6-ditert-butyl-4-[[[4-chloro-2-[5-chloro-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenyl]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 58013487
2,7-bis(2-ethyl-6-methylphenyl)pyrene-1,3,6,8-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenyl]methyl]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 157086611
2,6-dibutyl-4-[[[4-[2-[4-[(3,5-dibutyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenyl]propan-2-yl]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 70966903
2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 20683540
bis(4-methylphenyl)diazene
CID 10389
6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
CID 167555858

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one (CID 20734254) is (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one is CC1=C/C(=C/N=N/c2ccc(C)cc2)C=C(C(C)(C)C)C1=O.
What is the InChIKey of (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is JTKPWUUVWZRWOH-OMSNLGENSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-6-8-16(9-7-13)21-20-12-15-10-14(2)18(22)17(11-15)19(3,4)5/h6-12H,1-5H3/b15-12-,21-20+.
What are the key properties of (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
(4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 294.40 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-tert-butyl-6-methyl-4-[[(4-methylphenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 20734254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).