CCC(=O)C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C
الاسم: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxobutanoate
SMILES: CCC(=O)C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Molecular Processing

Molecular formula
C20H28O3
Molecular weight
316.44
Exact mass
316.2038
XLogP
4.29
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
91.15

Supplementary Information

InChIKey: GVFRRCOZHJYDBB-QGPMSJSTSA-N
مرادفات
SCHEMBL2567667GVFRRCOZHJYDBB-QGPMSJSTSA-N2-oxo-butyric acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester
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