Basic information
- Standard SMILES
CC1OC(=O)CC(C)(C)O1- InChIKey
FCJRUJXIBAFSJO-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
Names & identifiers
- Preferred name
- 2,6,6-Trimethyl-1,3-dioxin-4-one
- IUPAC
- 2,6,6-trimethyl-1,3-dioxan-4-one
Names & synonyms
SCHEMBL1847374FCJRUJXIBAFSJO-UHFFFAOYSA-N2,6,6-trimethyl-1,3-dioxin-4-one
Database identifiers
- PubChem CID
- 15330563
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Related reactions
1 records
Compound notes
Loading…