C#CCC(C)(C#CCC)OC1CCCCO1
SMILES: C#CCC(C)(C#CCC)OC1CCCCO1

Molecular Processing

Molecular formula
C14H20O2
Molecular weight
220.31
Exact mass
220.1463
XLogP
2.73
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
64.6

Supplementary Information

Récupération des détails…

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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→