Structure Database (LMSD)
Common Name
5-heptenal
Systematic Name
5-heptenal
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-heptenal
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)
UDOAKURRCZMWOJ-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,7H,4-6H2,1H3/b3-2+
SMILES (Click to copy)
C/C=C/CCCC([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
133.17
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.93
Molar Refractivity
34.73
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Created at
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Updated at
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