Structure Database (LMSD)
Common Name
2-octenedial
Systematic Name
2-octenedial
Synonyms
3D model of 2-octenedial
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)
DZYVOBZUVXUJJG-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h3,5,7-8H,1-2,4,6H2/b5-3+
SMILES (Click to copy)
C(=O)([H])CCCC/C=C/C([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
156.62
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.50
Molar Refractivity
39.74
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Created at
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Updated at
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