1,5-Dioxaspiro(5.5)undecane-2,4-dione
Basic information
- CAS
1658-27-1- Standard SMILES
O=C1CC(=O)OC2(CCCCC2)O1- InChIKey
IREXLBOGQIUZBO-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 1,5-Dioxaspiro(5.5)undecane-2,4-dione
- IUPAC
- 1,5-dioxaspiro[5.5]undecane-2,4-dione
- English name
- 1,5-DIOXA-SPIRO[5.5]UNDECANE-2,4-DIONE
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
1,5-dioxaspiro[5.5]undecane-2,4-dione1658-27-1DTXSID503590901,5-Dioxaspiro(5.5)undecane-2,4-dioneRefChem:221359DTXCID903101451,5-DIOXA-SPIRO[5.5]UNDECANE-2,4-DIONEMFCD00297103SCHEMBL2581832TOSLAB-BB TOS-BB-1280STK256908AKOS003259117
Show more names
SY257348DB-0645912,2-pentamethylene-4,6-dioxo-1,3-dioxaneH81307
Database identifiers
- CAS
1658-27-1- PubChem CID
- 937862
- DTXSID
DTXSID50359090- Nikkaji
- J790.199B
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 222
Physicochemical properties
- Melting point
- 93 °C · 93 °C(Solv: ethanol (64-17-5))
- Boiling point
- 443 · 443.0±38.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 11.48 · 11.48±0.20(Predicted)
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Related reactions
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Compound notes
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