이름: 6,6-ethylenedioxy-2-methyl-heptanol
SMILES:
CC(CO)CCCC1(C)OCCO1Molecular Processing
Molecular formula
C10H20O3
Molecular weight
188.27
Exact mass
188.1412
XLogP
1.55
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
50.41
Supplementary Information
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