Structure Database (LMSD)
Common Name
6-heptenal
Systematic Name
6-heptenal
Synonyms
3D model of 6-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)
IOXPXHVBWFDRGS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2,7H,1,3-6H2
SMILES (Click to copy)
C=CCCCCC([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
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
Admin
Created at
-
Updated at
-