Nombre: 3(R),7-dimethyl octanoic acid ethyl ester
SMILES:
CCOC(=O)C[C@H](C)CCCC(C)CMolecular Processing
Molecular formula
C12H24O2
Molecular weight
200.32
Exact mass
200.1776
XLogP
3.4
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
59.1
Supplementary Information
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