CC1CC=C(C(=O)C1C)C
CAS: 20030-30-2
Nombre: 2,5,6-trimethylcyclohex-2-en-1-one
SMILES: CC1CC=C(C(=O)C1C)C

Molecular Processing

Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
2.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
41.71

Supplementary Information

InChIKey: QAQCUBLNHBKTRM-UHFFFAOYSA-N
Sinónimos
2,5,6-Trimethylcyclohex-2-en-1-one20030-30-22-Cyclohexen-1-one, 2,5,6-trimethyl-2,5,6-Trimethyl-2-cyclohexen-1-oneEINECS 243-473-0DTXSID80885110EC 243-473-0RefChem:470847DTXCID801024512243-473-0SCHEMBL36791112,3,6-trimethylcyclohex-5-en-1-one2,3,6-trimethyl-cyclohex-5-en-1-one2,5,6-trimethyl-cyclohex-2-en-1-one2,5,6-trimethylcyclohex-2-en- 1-oneNS00009431
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