Structure Database (LMSD)
Common Name
1-Heptadecene-4,6-diyne-3,9-diol
Systematic Name
heptadec-1-en-4,6-diyne-3,9-diol
Synonyms
LM ID
LMFA05000599
Formula
Exact Mass
Calculate m/z
262.19328
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1-Heptadecene-4,6-diyne-3,9-diol
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)
WNSUMUNACHNURC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3
SMILES (Click to copy)
CCCCCCCCC(O)CC#CC#CC(O)C=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
307.04
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.61
Molar Refractivity
81.40
Admin
Created at
-
Updated at
-