Butyric acid, ester with tetrahydro-2-furanpropanol
Basic information
- CAS
63867-16-3- Standard SMILES
CCCC(=O)OCCCC1CCCO1- InChIKey
BAEVROZWRARQSZ-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Butyric acid, ester with tetrahydro-2-furanpropanol
- IUPAC
- 3-(oxolan-2-yl)propyl butanoate
Names & synonyms
63867-16-3Butyric acid, ester with tetrahydro-2-furanpropanolRefChem:1080500Butanoic acid, 3-(tetrahydro-2-furanyl)propyl esterTetrahydro-2-furanpropanol butyrateBRN 0134596NSC18530NSC 18530NSC-18530
Database identifiers
- CAS
63867-16-3- PubChem CID
- 95541
- Nikkaji
- J67.407I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…