1-(3,5-Dimethylphenoxy)-3,3-dimethylbutan-2-one
Basic information
- CAS
500293-89-0- Standard SMILES
Cc1cc(C)cc(OCC(=O)C(C)(C)C)c1- InChIKey
PXYWIBJVAIRXRS-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 1-(3,5-Dimethylphenoxy)-3,3-dimethylbutan-2-one
- IUPAC
- 1-(3,5-dimethylphenoxy)-3,3-dimethylbutan-2-one
Names & synonyms
1-(3,5-Dimethylphenoxy)-3,3-dimethyl-2-butanone500293-89-0NSC866141-(3,5-dimethylphenoxy)-3,3-dimethylbutan-2-oneNCIOpen2_005036SCHEMBL17109773DTXSID101242634NSC-86614AKOS0089051702-Butanone, 1-(3,5-dimethylphenoxy)-3,3-dimethyl-
Database identifiers
- CAS
500293-89-0- PubChem CID
- 257982
- DTXSID
DTXSID101242634
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…