Name: ketal
SMILES:
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1Molecular Processing
Molecular formula
C21H28O4
Molecular weight
344.45
Exact mass
344.1988
XLogP
4
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
93.91
Supplementary Information
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