Basic information
- CAS
6937-54-8- Standard SMILES
CC(C)c1ccc(C(=O)OCC2CCCO2)cc1- InChIKey
JUYAPNYKJRBXTH-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Tetrahydrofuran-2-ylmethyl 4-(propan-2-yl)benzoate
- IUPAC
- oxolan-2-ylmethyl 4-propan-2-ylbenzoate
Names & synonyms
6937-54-8tetrahydrofuran-2-ylmethyl 4-(propan-2-yl)benzoateNSC20064DTXSID20281091NSC-20064(Oxolan-2-yl)methyl 4-(propan-2-yl)benzoate
Database identifiers
- CAS
6937-54-8- PubChem CID
- 227900
- DTXSID
DTXSID20281091
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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