CCC=CCCC(C#CC(C)O)O
Nom: undec-8-en-3-yne-2,5-diol
SMILES: CCC=CCCC(C#CC(C)O)O

Molecular Processing

Molecular formula
C11H18O2
Molecular weight
182.26
Exact mass
182.1307
XLogP
1.48
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
54.13

Supplementary Information

InChIKey: LQVRECDXWASARL-UHFFFAOYSA-N
Synonymes
undec-8-en-3-yne-2,5-diolSCHEMBL15129712LQVRECDXWASARL-UHFFFAOYSA-N
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→