이름: 1-(3,3,5-trimethyl-cyclohex-1-en-1-yl)-pent-4-en-1-one
SMILES:
C=CCCC(=O)C1=CC(C)(C)CC(C)C1Molecular Processing
Molecular formula
C14H22O
Molecular weight
206.33
Exact mass
206.1671
XLogP
3.9
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
15
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
0.643
Molar refractivity
64.7
Supplementary Information
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