Structure Database (LMSD)
Common Name
beta-sanshool
Systematic Name
(2E,6E,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Synonyms
3D model of beta-sanshool
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)
SBXYHCVXUCYYJT-UMYNZBAMSA-N
InChi (Click to copy)
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+
SMILES (Click to copy)
C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
291.95
Topological Polar Surface Area
29.10
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
4.07
Molar Refractivity
79.81
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Created at
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Updated at
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