Structure Database (LMSD)
Common Name
Neral
Systematic Name
Synonyms
3D model of Neral
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
WTEVQBCEXWBHNA-YFHOEESVSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
SMILES (Click to copy)
C(/C)(=C\C=O)\CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
182.43
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.88
Molar Refractivity
48.49
Admin
Created at
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Updated at
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