Agn-PC-0jtqio

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Basic information

CAS: 56248-63-6
Standard SMILES: CC1=C(C)C(=CC2(C)OC(=O)C(C)=C2C)OC1=O
InChIKey: SBSQCWXPECQIAG-UHFFFAOYSA-N
Molecular formula: C14H16O4
Average molar mass: 248.27 g/mol
Monoisotopic mass: 248.10485899

Names & identifiers

Preferred name: Agn-PC-0jtqio
IUPAC: 5-[(3,4-dimethyl-5-oxofuran-2-ylidene)methyl]-3,4,5-trimethylfuran-2-one
English name: 5-[[3,4-Dimethyl-5-oxofuran-2(5H)-ylidene]methyl]-3,4,5-trimethyl-2(5H)-furanone
Molecular formula: C14H16O4
Molecular weight: 248.27

Names & synonyms

56248-63-6AGN-PC-0JTQIODTXSID80346079DB-3064025-[(3,4-Dimethyl-5-oxofuran-2(5H)-ylidene)methyl]-3,4,5-trimethylfuran-2(5H)-one5-[[3,4-Dimethyl-5-oxofuran-2(5h)-ylidene]methyl ]-3,4,5-trimethyl-2(5h)-furanone5-[[3,4-Dimethyl-5-oxofuran-2(5H)-ylidene]methyl]-3,4,5-trimethyl-2(5H)-furanone2(5H)-Furanone, 5-[(3,4-dimethyl-5-oxo-2(5H)-furanylidene)methyl]-3,4,5-trimethyl-

Database identifiers

CAS: 56248-63-6
PubChem CID: 609462
DTXSID: DTXSID80346079

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 548

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Compound notes

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