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Chemical structure of 2,2,6-Trimethylcyclohexanone

GC61892

2,2,6-Trimethylcyclohexanone

Also known as 2,2,6-trimethylcyclohexan-1-one

2,2,6-Trimethylcyclohexanone, an intermediate, can be used in the synthesis of β-ionone

ChemicalCAS2408-37-9MW140.22FormulaC9H16O
CAS number
2408-37-9
Molecular weight
140.22
Formula
C9H16O
InChIKey
ZPVOLGVTNLDBFI-UHFFFAOYSA-N
Catalogue number
GC61892
Brand
GLPBIO
Computed properties PubChem CID 17000 · XLogP 2.4 · TPSA 17.1 Ų · H-bond donors 0
XLogP
2.4
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

SMILES CC1CCCC(C1=O)(C)C

Computed descriptors from PubChem (CID 17000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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