CCC(C)(O)CCC(C)=C(C)C
SMILES: CCC(C)(O)CCC(C)=C(C)C

Molecular Processing

Molecular formula
C11H22O
Molecular weight
170.3
Exact mass
170.1671
XLogP
3.28
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
54.2

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→