Name: (5R,6S)-1,1-diisopropoxy-5-(2,2,2-trichloroethoxycarbonyloxy)-2,2,6-trimethyl-8-nonen-3-one
SMILES:
C=CC[C@H](C)[C@@H](CC(=O)C(C)(C)C(OC(C)C)OC(C)C)OC(=O)OCC(Cl)(Cl)ClMolecular Processing
Molecular formula
C21H35Cl3O6
Molecular weight
489.86
Exact mass
488.1499
XLogP
6.25
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
30
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
120.12
Supplementary Information
Details werden geladen…
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