Name: (R)-5-acetoxyhexyl-1-chlorohexane
SMILES:
CCCCC[C@@H](Cl)CCCCC(C)OC(C)=OMolecular Processing
Molecular formula
C14H27ClO2
Molecular weight
262.82
Exact mass
262.17
XLogP
4.69
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
17
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
73.48
Supplementary Information
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