SMILES:
CCOC1=CC(C)(C)CC(C)CC1Molecular Processing
Molecular formula
C12H22O
Molecular weight
182.31
Exact mass
182.1671
XLogP
3.75
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
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
0.833
Molar refractivity
56.51
Supplementary Information
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