4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

C20H18O3 — CID 14924160

IUPAC4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=c2ccc(=C3C=C(C)C(=O)C(C)=C3)o2)C=C(C)C1=O
InChIInChI=1S/C20H18O3/c1-11-7-15(8-12(2)19(11)21)17-5-6-18(23-17)16-9-13(3)20(22)14(4)10-16/h5-10H,1-4H3
InChIKeyVAKFYRHKWLFGPY-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.53
Rot. Bonds

About 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 14924160) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
PubChem CID14924160
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=c2ccc(=C3C=C(C)C(=O)C(C)=C3)o2)C=C(C)C1=O
InChIInChI=1S/C20H18O3/c1-11-7-15(8-12(2)19(11)21)17-5-6-18(23-17)16-9-13(3)20(22)14(4)10-16/h5-10H,1-4H3
InChIKeyVAKFYRHKWLFGPY-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one (CID 14924160) is 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one is CC1=CC(=c2ccc(=C3C=C(C)C(=O)C(C)=C3)o2)C=C(C)C1=O.
What is the InChIKey of 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is VAKFYRHKWLFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-11-7-15(8-12(2)19(11)21)17-5-6-18(23-17)16-9-13(3)20(22)14(4)10-16/h5-10H,1-4H3.
What are the key properties of 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one?
4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 306.36 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 14924160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).