4H-1,3-Dioxin-4-one, 6-(2-hydroxy-4-phenylbutyl)-2,2-dimethyl-
Basic information
- CAS
195376-03-5- Standard SMILES
CC1(C)OC(=O)C=C(CC(O)CCc2ccccc2)O1- InChIKey
AITQGGQCRKDQQJ-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.13615911
Names & identifiers
- Preferred name
- 4H-1,3-Dioxin-4-one, 6-(2-hydroxy-4-phenylbutyl)-2,2-dimethyl-
- IUPAC
- 6-(2-hydroxy-4-phenylbutyl)-2,2-dimethyl-1,3-dioxin-4-one
Names & synonyms
4H-1,3-Dioxin-4-one, 6-(2-hydroxy-4-phenylbutyl)-2,2-dimethyl-195376-03-5DTXSID704588376-(2-Hydroxy-4-phenylbutyl)-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
Database identifiers
- CAS
195376-03-5- PubChem CID
- 11208138
- DTXSID
DTXSID70458837- Nikkaji
- J1.923.613G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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