Basic information
- CAS
91352-41-9- Standard SMILES
CCC(C)(C)c1ccc(C(=O)OC)o1- InChIKey
YTAQQZFNQJRVGW-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- Methyl 5-(2-methylbutan-2-yl)furan-2-carboxylate
- IUPAC
- methyl 5-(2-methylbutan-2-yl)furan-2-carboxylate
Names & synonyms
91352-41-9methyl 5-(2-methylbutan-2-yl)furan-2-carboxylateNSC69091DTXSID10290516NSC-69091
Database identifiers
- CAS
91352-41-9- PubChem CID
- 250091
- DTXSID
DTXSID10290516
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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