2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one

C18H24N2O2 — CID 59958370

IUPAC2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one
SMILESCC1=CC(=NN=C2C=C(C)C(=O)C(C)(C)C2)CC(C)(C)C1=O
InChIInChI=1S/C18H24N2O2/c1-11-7-13(9-17(3,4)15(11)21)19-20-14-8-12(2)16(22)18(5,6)10-14/h7-8H,9-10H2,1-6H3
InChIKeyOPMJVUWWLBHOPE-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.67
Rot. Bonds1

About 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one

2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one (PubChem CID 59958370) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one
PubChem CID59958370
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one
SMILESCC1=CC(=NN=C2C=C(C)C(=O)C(C)(C)C2)CC(C)(C)C1=O
InChIInChI=1S/C18H24N2O2/c1-11-7-13(9-17(3,4)15(11)21)19-20-14-8-12(2)16(22)18(5,6)10-14/h7-8H,9-10H2,1-6H3
InChIKeyOPMJVUWWLBHOPE-UHFFFAOYSA-N
XLogP3.67
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-Diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 102189710
4-[(3,5-Ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 21028195
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;propan-2-one;N-propan-2-ylidenehydroxylamine
CID 172919739
azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
CID 172962853
6-Diazo-3,5,5-trimethylcyclohex-2-en-1-one
CID 101895981
(5S)-6-diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 125477031
(5R)-6-diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 125495357
(4Z)-4-hydrazinylidene-2,6,6-trimethylcyclohex-2-en-1-one
CID 133677334
2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one
CID 177574484

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one?
The IUPAC name of 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one (CID 59958370) is 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one.
What is the SMILES notation for 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one?
The canonical SMILES for 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one is CC1=CC(=NN=C2C=C(C)C(=O)C(C)(C)C2)CC(C)(C)C1=O.
What is the InChIKey of 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one?
The InChIKey is OPMJVUWWLBHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-7-13(9-17(3,4)15(11)21)19-20-14-8-12(2)16(22)18(5,6)10-14/h7-8H,9-10H2,1-6H3.
What are the key properties of 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one?
2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one has a molecular weight of 300.40 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-4-[(3,5,5-trimethyl-4-oxocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-one is sourced from PubChem (CID 59958370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).