3-(Oxolan-2-yl)propyl hexanoate
Basic information
- CAS
5467-12-9- Standard SMILES
CCCCCC(=O)OCCCC1CCCO1- InChIKey
PEWHIOPNDQHTHB-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- 3-(Oxolan-2-yl)propyl hexanoate
- IUPAC
- 3-(oxolan-2-yl)propyl hexanoate
Names & synonyms
NSC185365467-12-93-(oxolan-2-yl)propyl hexanoateDTXSID30280757NSC-18536hexanoic acid 3-tetrahydro-2-furyl-propyl ester
Database identifiers
- CAS
5467-12-9- PubChem CID
- 227192
- DTXSID
DTXSID30280757
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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