Structure Database (LMSD)
Common Name
Pelargonaldehyde
Systematic Name
nonanal
Synonyms
3D model of Pelargonaldehyde
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)
GYHFUZHODSMOHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
SMILES (Click to copy)
C(CCCCCCC([H])=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
170.41
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.94
Molar Refractivity
44.06
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Created at
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Updated at
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