Name: 2,2-bis-[5,5-dimethyl-6-(tetrahydropyran-2-yloxy)-hexyl]-malonic acid diethyl ester
SMILES:
CCOC(=O)C(CCCCC(C)(C)COC1CCCCO1)(CCCCC(C)(C)COC1CCCCO1)C(=O)OCCMolecular Processing
Molecular formula
C33H60O8
Molecular weight
584.84
Exact mass
584.4288
XLogP
7.36
TPSA
89.52
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
20
Heavy atoms
41
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.939
Molar refractivity
159.28
Supplementary Information
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