Nombre: 1-Ethynyl-3-methyl-cyclohexanol
SMILES:
C#CC1(O)CCCC(C)C1Molecular Processing
Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
1.56
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
41.41
Supplementary Information
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