CC1CCC(C(C)C)C(C=O)C1
SMILES: CC1CCC(C(C)C)C(C=O)C1

Molecular Processing

Molecular formula
C11H20O
Molecular weight
168.28
Exact mass
168.1514
XLogP
2.89
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
50.9

Supplementary Information

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