2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one

C20H24O2 — CID 158172094

IUPAC2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one
SMILESCC1=C(C)C(C)=C(C)C(=C2C(C)=C(C)C(=O)C(C)=C2C)C1=O
InChIInChI=1S/C20H24O2/c1-9-10(2)14(6)20(22)18(11(9)3)17-12(4)15(7)19(21)16(8)13(17)5/h1-8H3
InChIKeyBLVKARFYIABGPZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.79
Rot. Bonds

About 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one

2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one (PubChem CID 158172094) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one
PubChem CID158172094
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one
SMILESCC1=C(C)C(C)=C(C)C(=C2C(C)=C(C)C(=O)C(C)=C2C)C1=O
InChIInChI=1S/C20H24O2/c1-9-10(2)14(6)20(22)18(11(9)3)17-12(4)15(7)19(21)16(8)13(17)5/h1-8H3
InChIKeyBLVKARFYIABGPZ-UHFFFAOYSA-N
XLogP4.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;3,4,5,6-tetramethylcyclohexa-3,5-diene-1,2-dione
CID 157237199
ethanol;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
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(1Z,5Z)-cycloocta-1,5-diene;nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
CID 88698930
2-(2,4-dimethylpentan-2-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 118260722
2-(4,4-dihydroxy-2-methylbutan-2-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 118286794
CID 11029939
CID 11029939
1,3,5,6-tetramethyl-2H-isoindole-4,7-dione
CID 10608220
7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone
CID 101066714
7,8,16,17,25,26,34,35-octamethyl-3,12,21,30-tetramethylidenepentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(32),5(10),7,14(19),16,23(28),25,34-octaene-6,9,15,18,24,27,33,36-octone
CID 101066716
2-[4-hydroxy-2-methyl-4-(methylamino)butan-2-yl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 170263875
N,N,3-trimethyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
CID 14415098
N,3-dimethyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
CID 20745686

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one (CID 158172094) is 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one is CC1=C(C)C(C)=C(C)C(=C2C(C)=C(C)C(=O)C(C)=C2C)C1=O.
What is the InChIKey of 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
The InChIKey is BLVKARFYIABGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-9-10(2)14(6)20(22)18(11(9)3)17-12(4)15(7)19(21)16(8)13(17)5/h1-8H3.
What are the key properties of 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one has a molecular weight of 296.41 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 158172094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).