4,5-Dimethyl-2-[4-(propan-2-yl)phenyl]-1,3-dioxolane
Basic information
- CAS
5458-32-2- Standard SMILES
CC(C)c1ccc(C2OC(C)C(C)O2)cc1- InChIKey
QTHHOQBCLLTLSZ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 4,5-Dimethyl-2-[4-(propan-2-yl)phenyl]-1,3-dioxolane
- IUPAC
- 4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
Names & synonyms
5458-32-22-(4-ISOPROPYLPHENYL)-4,5-DIMETHYL-1,3-DIOXOLANE4,5-dimethyl-2-[4-(propan-2-yl)phenyl]-1,3-dioxolaneNSC23547starbld0021970DTXSID90281947MFCD19707469NSC-23547SY263798
Database identifiers
- CAS
5458-32-2- PubChem CID
- 229708
- DTXSID
DTXSID90281947
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
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Compound notes
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