Name: (E)-5-methylhept-3-en-2-one
SMILES:
CCC(C)/C=C/C(C)=OMolecular Processing
Molecular formula
C8H14O
Molecular weight
126.2
Exact mass
126.1045
XLogP
2.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
39.28
Supplementary Information
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