SMILES:
C=C(C)CC1(C(C)=O)CCCC(C)(C)C1Molecular Processing
Molecular formula
C14H24O
Molecular weight
208.34
Exact mass
208.1827
XLogP
4.13
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
64.79
Supplementary Information
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