SMILES:
CC1CC(O)CC(C)(C)C1Molecular Processing
Molecular formula
C9H18O
Molecular weight
142.24
Exact mass
142.1358
XLogP
2.19
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
42.8
Supplementary Information
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