Name: 2,2-dimethylhexanoic acid methyl ester
SMILES:
CCCCC(C)(C)C(=O)OCMolecular Processing
Molecular formula
C9H18O2
Molecular weight
158.24
Exact mass
158.1307
XLogP
2.38
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
45.32
Supplementary Information
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Involved in 8 reactions→