CC1CC(C#N)(c2cccc(S[Si](C(C)C)(C(C)C)C(C)C)c2)CCO1
Name: (2SR, 4RS)-4-cyano-2-methyl-4-(3-triisopropylsilylthiophenyl)-3,4,5,6-tetrahydro-2H-pyran
SMILES: CC1CC(C#N)(c2cccc(S[Si](C(C)C)(C(C)C)C(C)C)c2)CCO1

Molecular Processing

Molecular formula
C22H35NOSSi
Molecular weight
389.68
Exact mass
389.2209
XLogP
6.91
TPSA
33.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
115.29

Supplementary Information

Details werden geladen…

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