CCCCC(C)(C)C(C=CC1CCC(=O)C1CC=CCCCC(=O)O)O
Nom: 7-[2-(3-hydroxy-4,4-dimethyloct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid
SMILES: CCCCC(C)(C)C(C=CC1CCC(=O)C1CC=CCCCC(=O)O)O

Molecular Processing

Molecular formula
C22H36O4
Molecular weight
364.53
Exact mass
364.2614
XLogP
4.92
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
104.92

Supplementary Information

InChIKey: LLVVDFDWPQHXBA-UHFFFAOYSA-N
Synonymes
SCHEMBL11596612PD050725
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Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→