Name: 8-(tetrahydropyran-4-yl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile
SMILES:
N#CC1(C2CCOCC2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C14H21NO3
Molecular weight
251.33
Exact mass
251.1521
XLogP
2.24
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
64.69
Supplementary Information
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