CCCCCC(CCCC(CCCCC(C)CC(=O)OC)C(=O)O)OC(C)=O
Name: methyl 8carboxy-12-acetoxy-3-methylheptadecanoate
SMILES: CCCCCC(CCCC(CCCCC(C)CC(=O)OC)C(=O)O)OC(C)=O

Molecular Processing

Molecular formula
C22H40O6
Molecular weight
400.56
Exact mass
400.2825
XLogP
5.13
TPSA
89.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
17
Heavy atoms
28
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.864
Molar refractivity
108.94

Supplementary Information

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