Name: diethyl 2-(6,7,8,9-tetrahydro-2-dibenzofuranyl)-4-hydroxy-4-methyl-1,3-cyclohexanedicarboxylate
SMILES:
CCOC(=O)C1CCC(C)(O)C(C(=O)OCC)C1c1ccc2oc3c(c2c1)CCCC3Molecular Processing
Molecular formula
C25H32O6
Molecular weight
428.53
Exact mass
428.2199
XLogP
4.3
TPSA
85.97
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
115.7
Supplementary Information
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