Structure Database (LMSD)

Common Name
3-hydroxy caprylic acid
Systematic Name
3-hydroxy-octanoic acid
Synonyms
LM ID
LMFA01050021
Formula
Exact Mass
Calculate m/z
160.109945
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
NDPLAKGOSZHTPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
SMILES (Click to copy)
C(O)(CCCCC)CC(=O)O

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0287
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.69
Molar Refractivity 42.91

Admin

Created at
-
Updated at
-