Basic information
- Standard SMILES
CCOC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1- InChIKey
PKGWRQYTSXSUPK-UHFFFAOYSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Names & identifiers
- Preferred name
- Ethyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoate
- IUPAC
- ethyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoate
Names & synonyms
SCHEMBL1780682PKGWRQYTSXSUPK-UHFFFAOYSA-Nethyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoate
Database identifiers
- PubChem CID
- 67159072
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
4 records
Compound notes
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