Name: ethyl 8-acetyl-12-methyl-11-heptadecenoate
SMILES:
CCCCCC(C)=CCCC(CCCCCCC(=O)OCC)C(C)=OMolecular Processing
Molecular formula
C22H40O3
Molecular weight
352.56
Exact mass
352.2977
XLogP
6.4
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
16
Heavy atoms
25
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
105.64
Supplementary Information
Details werden geladen…
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