Name: 1-Isopropyl-2,4-dimethyl-cyclohex-3-enecarbaldehyde
SMILES:
CC1=CC(C)C(C=O)(C(C)C)CC1Molecular Processing
Molecular formula
C12H20O
Molecular weight
180.29
Exact mass
180.1514
XLogP
3.2
TPSA
17.07
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
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
55.49
Supplementary Information
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