Structure Database (LMSD)
Common Name
Caproaldehyde
Systematic Name
hexanal
Synonyms
- Caproic aldehyde
3D model of 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)
JARKCYVAAOWBJS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
SMILES (Click to copy)
CCCCCC([H])=O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
118.51
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.77
Molar Refractivity
30.21
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Updated at
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