Name: (1RS,2SR,6RS,7SR)-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-8-en-3,5-dione
SMILES:
Cc1cc(C)c(C2C(=O)C3C4C=CC(O4)C3C2=O)c(C)c1Molecular Processing
Molecular formula
C18H18O3
Molecular weight
282.34
Exact mass
282.1256
XLogP
2.42
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
78.19
Supplementary Information
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