Completing data — usually done within a minute
Basic information
- CAS
346735-03-3- Standard SMILES
CCOC(=O)N1CCCC2(CC1)OCCO2- InChIKey
OWBQIKHHQAUENU-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- Ethyl 1,4-dioxa-8-azaspiro[4.6]undecane-8-carboxylate
- IUPAC
- ethyl 1,4-dioxa-9-azaspiro[4.6]undecane-9-carboxylate
Names & synonyms
ethyl 1,4-dioxa-8-azaspiro[4.6]undecane-8-carboxylateSCHEMBL5023611OWBQIKHHQAUENU-UHFFFAOYSA-NDTXSID601212967346735-03-3
Database identifiers
- CAS
346735-03-3- PubChem CID
- 69282947
- DTXSID
DTXSID601212967
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
4 records
Compound notes
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