Name: 1-[(3-methyl-2-butenyl)oxy)-2-propyne
SMILES:
C#CCOCC=C(C)CMolecular Processing
Molecular formula
C8H12O
Molecular weight
124.18
Exact mass
124.0888
XLogP
1.6
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
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
0.5
Molar refractivity
39.08
Supplementary Information
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