1,4,9-Trioxadispiro[4.2.4.2]tetradeca-6,13-diene
Basic information
- CAS
581784-88-5- Standard SMILES
C1=CC2(C=CC13CCCO3)OCCO2- InChIKey
RUNYEYUYNSTSHQ-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 1,4,9-Trioxadispiro[4.2.4.2]tetradeca-6,13-diene
- IUPAC
- 4,9,12-trioxadispiro[4.2.48.25]tetradeca-6,13-diene
Names & synonyms
581784-88-51,4,9-Trioxadispiro[4.2.4.2]tetradeca-6,13-dieneDTXSID208525631,4,9-Trioxadispiro[4.2.4~8~.2~5~]tetradeca-6,13-diene
Database identifiers
- CAS
581784-88-5- PubChem CID
- 71443751
- DTXSID
DTXSID20852563- Nikkaji
- J2.132.092G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
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Related reactions
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Compound notes
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