이름: 1,1-diethoxy-4-methyl-4-hexen-2-in-6-ol
SMILES:
CCOC(C#CC(C)=CCO)OCCMolecular Processing
Molecular formula
C11H18O3
Molecular weight
198.26
Exact mass
198.1256
XLogP
1.33
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
55.66
Supplementary Information
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