(2S,4R)-2,4-dimethyl-2-phenyl-1,3-dioxolane
Basic information
- CAS
25687-77-8- Standard SMILES
C[C@@H]1CO[C@](C)(c2ccccc2)O1- InChIKey
CIHKNVXTQCYONS-KOLCDFICSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- (2S,4R)-2,4-dimethyl-2-phenyl-1,3-dioxolane
- IUPAC
- (2S,4R)-2,4-dimethyl-2-phenyl-1,3-dioxolane
Names & synonyms
NS00120693
Database identifiers
- CAS
25687-77-8- PubChem CID
- 117604
- Nikkaji
- J281.657A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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