2-Ethyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
Basic information
- CAS
6942-74-1- Standard SMILES
CCC1(C)OC(=O)C(c2ccccc2)O1- InChIKey
ZNXPDXFSIBVTGN-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 2-Ethyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
- IUPAC
- 2-ethyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
Names & synonyms
2-ethyl-2-methyl-5-phenyl-1,3-dioxolan-4-one6942-74-1NSC57306SCHEMBL11074444DTXSID50288679NSC-57306DS-004067
Database identifiers
- CAS
6942-74-1- PubChem CID
- 245359
- DTXSID
DTXSID50288679
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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