Basic information
- CAS
63450-32-8- Standard SMILES
CCCCCCC1COC(=O)C1- InChIKey
BAKYERABTYQIGZ-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2(3H)-Furanone, 4-hexyldihydro-
- IUPAC
- 4-hexyloxolan-2-one
Names & synonyms
63450-32-84-hexyloxolan-2-one2(3H)-Furanone, 4-hexyldihydro-EINECS 264-169-4SCHEMBL664978DTXSID909796753-HEXYL-GAMMA-BUTYROLACTONENS00120310
Database identifiers
- CAS
63450-32-8- PubChem CID
- 112656
- DTXSID
DTXSID90979675- EC Number
- 264-169-4
- Nikkaji
- J45.986K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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