Name: 2,2-dimethylpentanal
SMILES:
CCCC(C)(C)C=OMolecular Processing
Molecular formula
C7H14O
Molecular weight
114.19
Exact mass
114.1045
XLogP
2.01
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
34.75
Supplementary Information
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