C#CCC(C)(O)C#CCC
Nom: 4-methylocta-1,5-diyn-4-ol
SMILES: C#CCC(C)(O)C#CCC

Molecular Processing

Molecular formula
C9H12O
Molecular weight
136.19
Exact mass
136.0888
XLogP
1.17
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
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
0.556
Molar refractivity
42.14

Supplementary Information

InChIKey: RGJZRAUTDQZRBR-UHFFFAOYSA-N
Synonymes
SCHEMBL11507122RGJZRAUTDQZRBR-UHFFFAOYSA-N4-methyl-1,5-octadiyn-4(RS)-ol
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→