1,4,8-Trioxa-9-azaspiro[4.6]undecane
Basic information
- CAS
55815-51-5- Standard SMILES
C1CC2(CCON1)OCCO2- InChIKey
IXSSKTYMBUKHKM-UHFFFAOYSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Names & identifiers
- Preferred name
- 1,4,8-Trioxa-9-azaspiro[4.6]undecane
- IUPAC
- 1,4,9-trioxa-8-azaspiro[4.6]undecane
Names & synonyms
1,4,8-trioxa-9-azaspiro[4.6]undecane55815-51-5DTXSID703489861,4,8-trioxa-9-azaspiro(4.6)undecaneRefChem:219962DTXCID60300058InChI=1/C7H13NO3/c1-3-8-11-4-2-7(1)9-5-6-10-7/h8H,1-6H
Database identifiers
- CAS
55815-51-5- PubChem CID
- 642153
- DTXSID
DTXSID70348986
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
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Related reactions
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Compound notes
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