Name: 3,3-dimethyl-pent-4-yn-1-ol
SMILES:
C#CC(C)(C)CCOMolecular Processing
Molecular formula
C7H12O
Molecular weight
112.17
Exact mass
112.0888
XLogP
1.03
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
34.32
Supplementary Information
No supplementary data available
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