Basic information
- CAS
189824-44-0- Standard SMILES
O=C1CCC2(CC1)OOC1(CCCCC1)O2- InChIKey
GEWIRNPCVKWKGK-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- 7,14,15-Trioxadispiro[5.1.5.2]pentadecan-3-one
- IUPAC
- 7,14,15-trioxadispiro[5.1.58.26]pentadecan-11-one
Names & synonyms
189824-44-07,14,15-Trioxadispiro[5.1.5.2]pentadecan-3-oneCHEMBL188972SCHEMBL6890079DTXSID604403827,14,15-Trioxadispiro[5.1.5~8~.2~6~]pentadecan-3-one
Database identifiers
- CAS
189824-44-0- PubChem CID
- 10466254
- DTXSID
DTXSID60440382- ChEMBL
CHEMBL188972
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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