7a-Ethoxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
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Basic information
- CAS
169543-38-8- Standard SMILES
CCOC12CC(C)CCC1=C(C)C(=O)O2- InChIKey
VGPIAPJTZFZQKH-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 7a-Ethoxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
- IUPAC
- 7a-ethoxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
- English name
- 2(4H)-Benzofuranone,7a-ethoxy-5,6,7,7a-tetrahydro-3,6-dimethyl-(9CI)
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
169543-38-8DB-2806692(4H)-BENZOFURANONE, 7A-ETHOXY-5,6,7,7A-TETRAHYDRO-3,6-DIMETHYL-2(4H)-Benzofuranone,7a-ethoxy-5,6,7,7a-tetrahydro-3,6-dimethyl-(9CI)
Database identifiers
- CAS
169543-38-8- PubChem CID
- 45094216
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 341.2 · 341.2±30.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
Related reactions
0 records
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Compound notes
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