Name: iPr2O heptane
SMILES:
CC(C)OC(C)C.CCCCCCCMolecular Processing
Molecular formula
C13H30O
Molecular weight
202.38
Exact mass
202.2297
XLogP
4.8
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
2
Fraction Csp3
1
Molar refractivity
65.79
Supplementary Information
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