1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-
Basic information
- CAS
106596-69-4- Standard SMILES
CC(C(=O)c1ccccc1)C(=O)C(C)(C)C- InChIKey
IJGILMHSYIOLMA-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-
- IUPAC
- 2,4,4-trimethyl-1-phenylpentane-1,3-dione
Names & synonyms
1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-106596-69-4DTXSID30341175RefChem:219418DTXCID502922562,4,4-trimethyl-1-phenylpentane-1,3-dioneSCHEMBL29588976IJGILMHSYIOLMA-UHFFFAOYSA-N2,4,4-Trimethyl-1-phenyl-1,3-pentanedione #
Database identifiers
- CAS
106596-69-4- PubChem CID
- 570802
- DTXSID
DTXSID30341175
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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