CC(C=CCC(C)CCCC(C)(C)Cl)=CC(=O)OC(C)C
SMILES: CC(C=CCC(C)CCCC(C)(C)Cl)=CC(=O)OC(C)C

Molecular Processing

Molecular formula
C18H31ClO2
Molecular weight
314.9
Exact mass
314.2013
XLogP
5.65
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
21
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
0.722
Molar refractivity
91.69

Supplementary Information

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