CC(C=O)=CCC1CC=C(C)C1(C)C
SMILES: CC(C=O)=CCC1CC=C(C)C1(C)C

Molecular Processing

Molecular formula
C13H20O
Molecular weight
192.3
Exact mass
192.1514
XLogP
3.51
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
60.08

Supplementary Information

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