4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one

C22H26O2 — CID 71343347

IUPAC4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one
SMILESCCC1=CC(=CC=C2C=C(CC)C(=O)C(CC)=C2)C=C(CC)C1=O
InChIInChI=1S/C22H26O2/c1-5-17-11-15(12-18(6-2)21(17)23)9-10-16-13-19(7-3)22(24)20(8-4)14-16/h9-14H,5-8H2,1-4H3
InChIKeyASZSTAXOQAPNJC-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.35
Rot. Bonds5

About 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one

4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one (PubChem CID 71343347) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one
PubChem CID71343347
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one
SMILESCCC1=CC(=CC=C2C=C(CC)C(=O)C(CC)=C2)C=C(CC)C1=O
InChIInChI=1S/C22H26O2/c1-5-17-11-15(12-18(6-2)21(17)23)9-10-16-13-19(7-3)22(24)20(8-4)14-16/h9-14H,5-8H2,1-4H3
InChIKeyASZSTAXOQAPNJC-UHFFFAOYSA-N
XLogP5.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 225283
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CID 21881166
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CID 131751487
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CID 14375763
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CID 12003027
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CID 15839617
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CID 78621
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one (CID 71343347) is 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one is CCC1=CC(=CC=C2C=C(CC)C(=O)C(CC)=C2)C=C(CC)C1=O.
What is the InChIKey of 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one?
The InChIKey is ASZSTAXOQAPNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-5-17-11-15(12-18(6-2)21(17)23)9-10-16-13-19(7-3)22(24)20(8-4)14-16/h9-14H,5-8H2,1-4H3.
What are the key properties of 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one?
4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one has a molecular weight of 322.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 71343347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).