Name: 2,6-dimethyl-2,5-heptadien-4-one
SMILES:
CC(C)=CC(=O)C=C(C)CMolecular Processing
Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
2.49
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
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
0.444
Molar refractivity
43.87
Supplementary Information
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