Structure Database (LMSD)
Common Name
2E-Phytenal
Systematic Name
3,7,11,15-tetramethyl-2E-hexadecenal
Synonyms
3D model of 2E-Phytenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
RAFZYSUICBQABU-HMMYKYKNSA-N
InChi (Click to copy)
InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+
SMILES (Click to copy)
C(/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
358.07
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
6.57
Molar Refractivity
94.54
Admin
Created at
-
Updated at
-