2-(2',5'-Dimethylphenyl)-5,5-dimethyl-1,3-cyclohexanedione

HCID 12876602
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Basic information

Standard SMILES
Cc1ccc(C)c(C2C(=O)CC(C)(C)CC2=O)c1
InChIKey
KJVDZHQSZWNJKE-UHFFFAOYSA-N
Molecular formula
C16H20O2
Average molar mass
244.33 g/mol

Names & identifiers

Preferred name
2-(2',5'-Dimethylphenyl)-5,5-dimethyl-1,3-cyclohexanedione
IUPAC
2-(2,5-dimethylphenyl)-5,5-dimethylcyclohexane-1,3-dione

Names & synonyms

SCHEMBL10730428KJVDZHQSZWNJKE-UHFFFAOYSA-N2-(2',5'-dimethylphenyl)-5,5-dimethyl-1,3-cyclohexanedione

Database identifiers

PubChem CID
12876602

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

Related reactions

4 records
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Compound notes

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