C1CC2CC1CC2CCCC(=O)CCCC3CC4CCC3C4
Nom: 1,7-bis(2-bicyclo[2.2.1]heptanyl)heptan-4-one
SMILES: C1CC2CC1CC2CCCC(=O)CCCC3CC4CCC3C4

Molecular Processing

Molecular formula
C21H34O
Molecular weight
302.5
Exact mass
302.261
XLogP
5.77
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
90.59

Supplementary Information

InChIKey: VXPGPBGUDAUZNW-UHFFFAOYSA-N
Synonymes
SCHEMBL11604734VXPGPBGUDAUZNW-UHFFFAOYSA-N1,7-di-(2-norbornyl)-4-heptanone
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→