General Information of the Compound
| Compound ID |
CP0458088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-hydroxyoctanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
(+/-)-2-Hydroxyoctanoic acid
2-Hydroxy-n-octanoic Acid
2-Hydroxycaprylate
2-Hydroxycaprylic acid
2-Hydroxyoctanoate
2-Hydroxyoctanoic acid
2-hydroxy caprylic acid
2-hydroxy-octanoic acid
2-hydroxyoctanoic acid
2-hydroxyoctans
617-73-2
EINECS 210-524-3
Hydroxyoctanoate
JKRDADVRIYVCCY-UHFFFAOYSA-N
MFCD00014410
NSC 189703
Octanoic acid, 2-hydroxy-
Octanoic acid, hydroxy-
a-Hydroxycaprylate
a-Hydroxyoctanoate
alpha-Hydroxycaprylate
alpha-Hydroxycaprylic acid
alpha-Hydroxyoctanoate
alpha-Hydroxyoctanoic acid
hydroxycaprylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C8H16O3
|
||||||||||||||||||
| Molecular Weight |
160.213
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC(O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKRDADVRIYVCCY-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
617-73-2
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound