Basic information
- CAS
4858-67-7- Standard SMILES
CC(C)=C1OC(=O)C(C)(C)C(=O)O1- InChIKey
MZVHGCGCZPYDGJ-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(propan-2-ylidene)-1,3-dioxane-4,6-dione
- IUPAC
- 5,5-dimethyl-2-propan-2-ylidene-1,3-dioxane-4,6-dione
- English name
- 1,3-Dioxane-4,6-dione, 5,5-dimethyl-2-(1-methylethylidene)-
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
4858-67-75,5-dimethyl-2-(propan-2-ylidene)-1,3-dioxane-4,6-dioneDTXSID30338681RefChem:298356DTXCID702897645,5-dimethyl-2-propan-2-ylidene-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione, 5,5-dimethyl-2-(1-methylethylidene)-MZVHGCGCZPYDGJ-UHFFFAOYSA-NAS-02485,5-Dimethyl-2-(1-methylethylidene)-1,3-dioxane-4,6-dione #5,5-Dimethyl-2-(1-methylethylidene)-1,3-dioxane-4,6-dione
Database identifiers
- CAS
4858-67-7- PubChem CID
- 550656
- DTXSID
DTXSID30338681- Nikkaji
- J139.797D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 327.5 · 327.5±35.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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