Basic information
- CAS
73806-22-1- Standard SMILES
CC(C)(C)OC(=O)C1CCCC2(CC2)O1- InChIKey
BQXGKJSFHPFNBH-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- 1-Oxaspiro(2,5)octane-2-carboxylic acid, tert-butyl ester
- IUPAC
- tert-butyl 4-oxaspiro[2.5]octane-5-carboxylate
Names & synonyms
tert-Butyl 1,alpha-epoxycyclohexylideneacetateBRN 01522241-OXASPIRO(2,5)OCTANE-2-CARBOXYLIC ACID, tert-BUTYL ESTER73806-22-15-18-06-00079 (Beilstein Handbook Reference)RefChem:232747DTXSID20994816tert-butyl 4-oxaspiro[2.5]octane-5-carboxylate
Database identifiers
- CAS
73806-22-1- PubChem CID
- 52521
- DTXSID
DTXSID20994816
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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