Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1- InChIKey
JYPLUIVHKYNDEZ-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Names & identifiers
- Preferred name
- Methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoate
- IUPAC
- methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoate
Names & synonyms
Methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoatemethyl 4-(1,4-dioxaspiro(4.5)dec-7-en-8-yl)benzoate176208-16-5SCHEMBL2945528JYPLUIVHKYNDEZ-UHFFFAOYSA-NDA-09225
Database identifiers
- PubChem CID
- 22730331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Related reactions
7 records
Compound notes
Loading…