Name: 2,2-dimethyl-pent-4-ynoic acid ethyl ester
SMILES:
C#CCC(C)(C)C(=O)OCCMolecular Processing
Molecular formula
C9H14O2
Molecular weight
154.21
Exact mass
154.0994
XLogP
1.6
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
43.86
Supplementary Information
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