3-(Pent-2-en-1-yl)cyclopentane-1,2,4-trione
Basic information
- CAS
54644-27-8- Standard SMILES
CCC=CCC1C(=O)CC(=O)C1=O- InChIKey
CCBOLCQGIIFGHM-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 3-(Pent-2-en-1-yl)cyclopentane-1,2,4-trione
- IUPAC
- 3-pent-2-enylcyclopentane-1,2,4-trione
- English name
- 3-(2-Pentenyl)-1,2,4-cyclopentanetrione
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
3-(2-Pentenyl)-1,2,4-cyclopentanetrione3-(Pent-2-en-1-yl)cyclopentane-1,2,4-trioneDTXSID30345118DB-3654133-pent-2-enylcyclopentane-1,2,4-trione1,2,4-Cyclopentanetrione, 3-(2-penten-1-yl)-
Database identifiers
- CAS
54644-27-8- PubChem CID
- 601969
- DTXSID
DTXSID30345118
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 303 · 303.0±35.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 5.12 · 5.12±0.40(Predicted)
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Compound notes
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