Basic information
- Standard SMILES
CS(=O)(=O)OCCC1(C#N)CCC2(CC1)OCCO2- InChIKey
MLCJLNLTOGBQJD-UHFFFAOYSA-N- Molecular formula
- C12H19NO5S
- Average molar mass
- 289.35 g/mol
Names & identifiers
- Preferred name
- 2-(8-Cyano-1,4-dioxaspiro[4.5]decan-8-yl)ethyl methanesulfonate
- IUPAC
- 2-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)ethyl methanesulfonate
Names & synonyms
SCHEMBL2796312MLCJLNLTOGBQJD-UHFFFAOYSA-N2-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)ethyl methanesulfonate
Database identifiers
- PubChem CID
- 86643184
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 456
Related reactions
3 records
Compound notes
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