CCC(C)(C)C1CCC(C=O)CC1
SMILES: CCC(C)(C)C1CCC(C=O)CC1

Molecular Processing

Molecular formula
C12H22O
Molecular weight
182.31
Exact mass
182.1671
XLogP
3.43
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
55.58

Supplementary Information

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