2-Pentanone, 4,4'-(2,5-furandiyl)bis-
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Basic information
- CAS
111886-18-1- Standard SMILES
CC(=O)CC(C)c1ccc(C(C)CC(C)=O)o1- InChIKey
NEKFGAQIWDMFTR-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- 2-Pentanone, 4,4'-(2,5-furandiyl)bis-
- IUPAC
- 4-[5-(4-oxopentan-2-yl)furan-2-yl]pentan-2-one
Names & synonyms
2-Pentanone, 4,4'-(2,5-furandiyl)bis-111886-18-1DTXSID60326859RefChem:264992DTXCID00277972NSC619098NSC-6190984,4'-(Furan-2,5-diyl)di(pentan-2-one)
Database identifiers
- CAS
111886-18-1- PubChem CID
- 358936
- DTXSID
DTXSID60326859
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
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Compound notes
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