CCCCCC(CCCC(CCCCC(C)CC(=O)OC)(C(=O)[O-])C(=O)OC(C)(C)C)OC(C)=O
Name: tert.-butyl 2-(4-acetoxynonyl)-2-(6-methoxycarbonyl-5-methylhexyl)malonate
SMILES: CCCCCC(CCCC(CCCCC(C)CC(=O)OC)(C(=O)[O-])C(=O)OC(C)(C)C)OC(C)=O

Molecular Processing

Molecular formula
C27H47O8-
Molecular weight
499.67
Exact mass
499.3276
XLogP
4.51
TPSA
119.03
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
18
Heavy atoms
35
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
-1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.852
Molar refractivity
131.1

Supplementary Information

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