이름: 2-(5-acetoxypentyl)cyclopentanone
SMILES:
CC(=O)OCCCCCC1CCCC1=O.O=C1CCCC1CCCCCOMolecular Processing
Molecular formula
C22H38O5
Molecular weight
382.54
Exact mass
382.2719
XLogP
4.39
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
27
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.864
Molar refractivity
105.35
Supplementary Information
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