Structure Database (LMSD)

Common Name
5-oxo capric acid
Systematic Name
5-oxo-decanoic acid
Synonyms
LM ID
LMFA01060030
Formula
Exact Mass
Calculate m/z
186.125595
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
SDKDCMWTAOZNGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(=O)(CCCCC)CCCC(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0414
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 202.65
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.39
Molar Refractivity 50.64

Admin

Created at
-
Updated at
-