Structure Database (LMSD)
Common Name
2,6-Dimethyl-5-heptenal
Systematic Name
2,6-Dimethyl-5-heptenal
Synonyms
3D model of 2,6-Dimethyl-5-heptenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
YGFGZTXGYTUXBA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
SMILES (Click to copy)
C(C(C)CC/C=C(\C)/C)(=O)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
167.77
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.57
Molar Refractivity
43.89
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Created at
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Updated at
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