2-Ethoxy-2,4a,9,9a-tetrahydropyrano[3,2-b]oxepin-6-one
Basic information
- CAS
152843-33-9- Standard SMILES
CCOC1C=CC2OC(=O)C=CCC2O1- InChIKey
RHMZSGBJFIGIOW-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 2-Ethoxy-2,4a,9,9a-tetrahydropyrano[3,2-b]oxepin-6-one
- IUPAC
- 2-ethoxy-2,4a,9,9a-tetrahydropyrano[3,2-b]oxepin-6-one
- English name
- 6H-Pyrano[3,2-b]oxepin-6-one,2-ethoxy-2,4a,9,9a-tetrahydro-,[2S-(2alpha,4aalpha,9aalpha)]-(9CI)
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
2-ethoxy-2,4a,9,9a-tetrahydropyrano[3,2-b]oxepin-6-one6H-Pyrano[3,2-b]oxepin-6-one, 2-ethoxy-2,4a,9,9a-tetrahydro-, [2S-(2α,4aα,9aα)]- (9CI)6H-Pyrano[3,2-b]oxepin-6-one,2-ethoxy-2,4a,9,9a-tetrahydro-,[2S-(2alpha,4aalpha,9aalpha)]-(9CI)
Database identifiers
- CAS
152843-33-9- PubChem CID
- 91989054
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 380.1 · 380.1±42.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- HS Code
- 2932999099 · 2932999099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932999099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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