Basic information
- CAS
400089-91-0- Standard SMILES
CCC1(C)OOC(C)(C)CC(C)O1- InChIKey
PRQBPFFXDFLHMX-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 3-Ethyl-3,5,7,7-tetramethyl-1,2,4-trioxepane
- IUPAC
- 3-ethyl-3,5,7,7-tetramethyl-1,2,4-trioxepane
Names & synonyms
3-Ethyl-3,5,7,7-tetramethyl-1,2,4-trioxepane400089-91-0SCHEMBL1903975DTXSID70629323
Database identifiers
- CAS
400089-91-0- PubChem CID
- 22983333
- DTXSID
DTXSID70629323
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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