Name: methyl 1-(5-methyl-hexyl)cyclopentanecarboxylate
SMILES:
COC(=O)C1(CCCCC(C)C)CCCC1Molecular Processing
Molecular formula
C14H26O2
Molecular weight
226.36
Exact mass
226.1933
XLogP
3.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
66.22
Supplementary Information
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