2-(1,3-Dioxolan-2-ylidene)pentan-3-one
Basic information
- CAS
5418-50-8- Standard SMILES
CCC(=O)C(C)=C1OCCO1- InChIKey
QZMMFLPDZAJDSR-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 2-(1,3-Dioxolan-2-ylidene)pentan-3-one
- IUPAC
- 2-(1,3-dioxolan-2-ylidene)pentan-3-one
- English name
- 3-Pentanone, 2-(1,3-dioxolan-2-ylidene)-
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
2-(1,3-dioxolan-2-ylidene)pentan-3-one5418-50-8NSC104773-Pentanone, 2-(1,3-dioxolan-2-ylidene)-DTXSID70969135NSC-10477
Database identifiers
- CAS
5418-50-8- PubChem CID
- 223161
- DTXSID
DTXSID70969135
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
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Compound notes
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