5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
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Basic information
- CAS
103576-44-9- Standard SMILES
CCCCCCCC(=O)C1C(=O)OC(C)(C)OC1=O- InChIKey
UQMZDDUUYXBLHI-UHFFFAOYSA-N- Molecular formula
- C14H22O5
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.1467238
Names & identifiers
- Preferred name
- 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-octanoyl-1,3-dioxane-4,6-dione
- English name
- 5-OCTANOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
- Molecular formula
- C14H22O5
- Molecular weight
- 270.32
Names & synonyms
103576-44-95-OCTANOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE2,2-dimethyl-5-octanoyl-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(1-oxooctyl)-NSC613594starbld0004268SCHEMBL3782935DTXSID50326747UQMZDDUUYXBLHI-UHFFFAOYSA-NMFCD07369620NSC-613594DB-263653
Show more names
2,2-dimethyl-5-(1-oxooctyl)-1,3-Dioxane-4,6-dione1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-oxooctyl)-
5-OCTANOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE;2,2-dimethyl-5-(1-oxooctyl)-1,3-Dioxane-4,6-dione
Database identifiers
- CAS
103576-44-9- PubChem CID
- 356703
- DTXSID
DTXSID50326747
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 458.1 · 458.1±45.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Ethyl Acetate
- pka
- 8.88 · 8.88±0.40(Predicted)
- form
- Oil
- color
- Red
- CAS DataBase Reference
- 103576 · 103576-44-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione (cas# 103576-44-9) is a compound useful in organic synthesis.
Related reactions
2 records
Compound notes
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