CC(=O)C1C(=O)CC(CC1=O)(C)C
CAS: 1755-15-3
الاسم: 2-acetyl-5,5-dimethylcyclohexane-1,3-dione
SMILES: CC(=O)C1C(=O)CC(CC1=O)(C)C

Molecular Processing

Molecular formula
C10H14O3
Molecular weight
182.22
Exact mass
182.0943
XLogP
1.15
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
47.2

Supplementary Information

InChIKey: ITSKWKZDPHAQNK-UHFFFAOYSA-N
مرادفات
1755-15-31,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-RefChem:414176626-974-22-acetyl-5,5-dimethylcyclohexane-1,3-dione2-Acetyldimedone2-Acetyl-5,5-dimethyl-1,3-cyclohexanedioneMFCD004676632-acetyl-5,5-dimethyl-cyclohexane-1,3-dione1-acetyl-4,4-dimethyl-2,6-dioxocyclohexaneCyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-2-acetyl-dimedoneSCHEMBL313930DTXSID50334029BBL003479SBB001577STK508283AKOS001752356FA48121ST092474SY051270DB-065106A1853CS-0198991EU-00521412-Acetyl-5,5-dimethyl-cyclohexan-1,3-dioneEN300-364519N12047F552691SR-01000523997
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