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

C12H8O2 — CID 10310

IUPAC4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=C2C=CC(=O)C=C2)C=C1
InChIInChI=1S/C12H8O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKeyDDTHMESPCBONDT-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.67
Rot. Bonds

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

4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one (PubChem CID 10310) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
PubChem CID10310
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Name4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=C2C=CC(=O)C=C2)C=C1
InChIInChI=1S/C12H8O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKeyDDTHMESPCBONDT-UHFFFAOYSA-N
XLogP1.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 27971
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CID 5370101
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CID 12510894
Quinone methide
CID 136328
(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
CID 6111564
Anthracene-2,6-dione
CID 20208215
9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
CID 101716227
1H-Benzocycloheptene-1,7-trione, 4,7-dihydro-
CID 359306
(3E,5E,7E)-3-methyldeca-3,5,7-triene-2,9-dione
CID 156581955
6,11-Dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione
CID 163030210
(4-Ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium
CID 14785545
(4-Ethylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
CID 85703101

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one (CID 10310) is 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one is O=C1C=CC(=C2C=CC(=O)C=C2)C=C1.
What is the InChIKey of 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is DDTHMESPCBONDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H.
What are the key properties of 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one?
4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 184.19 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 10310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).