C1CC2C3C(C1O2)C(=O)CC3=O
Nom: 10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILES: C1CC2C3C(C1O2)C(=O)CC3=O

Molecular Processing

Molecular formula
C9H10O3
Molecular weight
166.18
Exact mass
166.063
XLogP
0.32
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
39.51

Supplementary Information

InChIKey: UITACZFIINUHQR-UHFFFAOYSA-N
Synonymes
SCHEMBL2120400UITACZFIINUHQR-UHFFFAOYSA-N10-oxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione(1RS,2SR,6RS,7SR)-10-oxa-tricyclo[5.2.1.02,6]decane-3,5-dione(1RS,2SR,6RS,7SR)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione(1RS,2SR,6RS,7SR)-10-oxatricyclo[5.2.1.02.6]decane-3,5-dione
Voir la source →
Impliqué dans 9 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→