이름: 2-ethyl-3,6,6-trimethyl-1-[but-3-enoyl]-2-cyclohexene
SMILES:
C=CCC(=O)C1C(CC)=C(C)CCC1(C)CMolecular Processing
Molecular formula
C15H24O
Molecular weight
220.36
Exact mass
220.1827
XLogP
4.29
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
16
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
0.667
Molar refractivity
69.32
Supplementary Information
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