Name: 3-t-butoxy-1-iodo-4-octyne
SMILES:
CCCC#CC(CCI)OC(C)(C)CMolecular Processing
Molecular formula
C12H21IO
Molecular weight
308.2
Exact mass
308.0637
XLogP
3.8
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
70.81
Supplementary Information
Details werden geladen…
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