2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one

C16H26N2O — CID 618947

IUPAC2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one
SMILESCN(C)N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
InChIInChI=1S/C16H26N2O/c1-15(2,3)12-9-11(17-18(7)8)10-13(14(12)19)16(4,5)6/h9-10H,1-8H3
InChIKeyYUKBWKYIIHDBSL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds1

About 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one

2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one (PubChem CID 618947) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one
PubChem CID618947
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one
SMILESCN(C)N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
InChIInChI=1S/C16H26N2O/c1-15(2,3)12-9-11(17-18(7)8)10-13(14(12)19)16(4,5)6/h9-10H,1-8H3
InChIKeyYUKBWKYIIHDBSL-UHFFFAOYSA-N
XLogP3.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one (CID 618947) is 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one is CN(C)N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1.
What is the InChIKey of 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is YUKBWKYIIHDBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2,3)12-9-11(17-18(7)8)10-13(14(12)19)16(4,5)6/h9-10H,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one?
2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 262.40 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(dimethylhydrazinylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 618947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).