Structure Database (LMSD)
Common Name
Caprylaldehyde
Systematic Name
octanal
Synonyms
- Caprylic aldehyde
No other lipid differing only in stereochemistry/bond geometry found
3D model of Caprylaldehyde
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)
NUJGJRNETVAIRJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
SMILES (Click to copy)
CCCCCCCC([H])=O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
153.11
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.55
Molar Refractivity
39.44
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Created at
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Updated at
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