1,4-Dioxaspiro(4.11)hexadecane
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Basic information
- CAS
650-06-6- Standard SMILES
C1CCCCCC2(CCCCC1)OCCO2- InChIKey
BMFLFTKDKRUVMF-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro(4.11)hexadecane
- IUPAC
- 1,4-dioxaspiro[4.11]hexadecane
- English name
- 1,4-dioxaspiro[4.11]hexadecane
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35
Names & synonyms
1,4-dioxaspiro[4.11]hexadecane1,4-Dioxaspiro(4.11)hexadecane650-06-67B5EDJ9UTTEINECS 211-478-7DTXSID80215317CYCLODODECANONE, CYCLIC ETHYLENE ACETALCYCLODODECANONE, CYCLIC 1,2-ETHANEDIYL ACETALRefChem:73335DTXCID80137808211-478-7UNII-7B5EDJ9UTT
Show more names
1,4-Dioxaspiro[4.11]hexadecane (7CI,8CI,9CI)
BMFLFTKDKRUVMF-UHFFFAOYSA-NNS00035777
Database identifiers
- CAS
650-06-6- PubChem CID
- 69541
- DTXSID
DTXSID80215317- UNII
- 7B5EDJ9UTT
- EC Number
- 211-478-7
- Nikkaji
- J205.928B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- FDA UNII
- 7 B5EDJ9UTT · 7B5EDJ9UTT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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