Basic information
- CAS
227177-81-3- Standard SMILES
CC1(C)CCCC2(CC(=O)OC2=O)O1- InChIKey
BYOABXSVTBOUEB-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- 7,7-Dimethyl-2,6-dioxaspiro[4.5]decane-1,3-dione
- IUPAC
- 7,7-dimethyl-2,6-dioxaspiro[4.5]decane-1,3-dione
Names & synonyms
7,7-Dimethyl-2,6-dioxaspiro[4.5]decane-1,3-dione227177-81-3SCHEMBL13059648DTXSID20609579
Database identifiers
- CAS
227177-81-3- PubChem CID
- 20744934
- DTXSID
DTXSID20609579
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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