Research chemical
CAS Number: 33742-94-8
methyl]-5,5-dimethyl-1,3-cyclohexanedione molecular structure, CAS 33742-94-8](/structure-images/33742-94-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1206913
Exact Mass
411.240959
InChIKey
JVPRHRIFERQAJU-UHFFFAOYSA-N
IUPAC Name
2-[[4-(dimethylamino)phenyl]-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
SMILES String
CN(C)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2-[[4-(Dimethylamino)phenyl](4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is identified by CAS 33742-94-8, with molecular formula C25H33NO4, molecular weight 411.5, InChIKey JVPRHRIFERQAJU-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
30
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
4
Ring count
3
Aromatic rings
1
Topological polar surface area
71.52 Ų
Computed LogP
3.98
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2-[[4-(Dimethylamino)phenyl](4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione (CAS 33742-94-8) is maintained as a commercial cas reference with formula C25H33NO4, molecular weight 411. 50 g/mol, PubChem CID 1206913.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.