Structure Database (LMSD)
Common Name
8E-Hydroxy-4,8-dimethyl-4,9-decadienal
Systematic Name
8E-Hydroxy-4,8-dimethyl-4,9-decadienal
Synonyms
LM ID
LMFA06000145
Formula
Exact Mass
Calculate m/z
196.14633
Sum Composition
Status
Active
3D model of 8E-Hydroxy-4,8-dimethyl-4,9-decadienal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase
String Representations
InChiKey (Click to copy)
YHHPBYNAHAIMNQ-YRNVUSSQSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-4-12(3,14)9-5-7-11(2)8-6-10-13/h4,7,10,14H,1,5-6,8-9H2,2-3H3/b11-7+
SMILES (Click to copy)
C(CC/C(/C)=C/CCC(O)(C)C=C)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.92
Molar Refractivity
59.62
Admin
Created at
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Updated at
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