Structure Database (LMSD)
Systematic Name
6,10-dimethyl-9-methylene-5E-undecen-2-one
Synonyms
- 6,10-dimethyl-9-methylene-undec-5E-en-2-one
No other lipid differing only in stereochemistry/bond geometry found
3D model of
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)
GVHYGHSXSIDTDI-KPKJPENVSA-N
InChi (Click to copy)
InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+
SMILES (Click to copy)
CC(=O)CC/C=C(\C)/CCC(=C)C(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
251.63
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.29
Molar Refractivity
66.88
Admin
Created at
-
Updated at
-