Structure Database (LMSD)
Common Name
1,16-Heptadecadien-3-one
Systematic Name
1,16-Heptadecadien-3-one
Synonyms
3D model of 1,16-Heptadecadien-3-one
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)
BJUAHDDPXUJMLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3H,1,4-16H2,2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCCCCCC=C
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
306.17
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.83
Molar Refractivity
80.90
Admin
Created at
-
Updated at
-