Название: ethyl 7-(2-heptylsulfanyl-5-oxocyclopentyl)heptanoate
SMILES:
CCCCCCCSC1CCC(=O)C1CCCCCCC(=O)OCCMolecular Processing
Molecular formula
C21H38O3S
Molecular weight
370.6
Exact mass
370.2542
XLogP
5.94
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
107.07
Supplementary Information
InChIKey: KKVIWYQNZBEDOA-UHFFFAOYSA-N
Синонимы
SCHEMBL11855838KKVIWYQNZBEDOA-UHFFFAOYSA-N2-(6-carbethoxyhexyl)-3-heptylthio-cyclopentanone
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