Structure Database (LMSD)
Common Name
2-hydroxy caproaldehyde
Systematic Name
2-hydroxy-hexanal
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-hydroxy caproaldehyde
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
BRZMRZVKWQWYPJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3
SMILES (Click to copy)
CCCCC(O)C([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
127.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.02
Molar Refractivity
32.11
Admin
Created at
-
Updated at
-