3-(Tetrahydrofuran-2-yl)propyl 2-ethylbutanoate
Basic information
- CAS
5451-22-9- Standard SMILES
CCC(CC)C(=O)OCCCC1CCCO1- InChIKey
PZTLYOMFJTUMSV-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- 3-(Tetrahydrofuran-2-yl)propyl 2-ethylbutanoate
- IUPAC
- 3-(oxolan-2-yl)propyl 2-ethylbutanoate
Names & synonyms
3-(tetrahydrofuran-2-yl)propyl 2-ethylbutanoate5451-22-93-(oxolan-2-yl)propyl 2-ethylbutanoateNSC18535DTXSID70280756NSC-185352-ethyl-butyric acid 3-tetrahydro-2-furyl-propyl ester
Database identifiers
- CAS
5451-22-9- PubChem CID
- 227191
- DTXSID
DTXSID70280756
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…