CCCCCC(CCCC(CCCCCCC(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(C)=O
Name: di-tert.-butyl 2-(4-acetoxynonyl)-2-(6-ethoxycarbonylhexyl)malonate
SMILES: CCCCCC(CCCC(CCCCCCC(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(C)=O

Molecular Processing

Molecular formula
C31H56O8
Molecular weight
556.78
Exact mass
556.3975
XLogP
7.24
TPSA
105.2
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
19
Heavy atoms
39
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.871
Molar refractivity
152

Supplementary Information

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