Structure Database (LMSD)
Common Name
(Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Systematic Name
(Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GIVJKSRWUFQGDW-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(27)22-23/h10-11,17-18,20,22,27H,2-9,12-16,19,21H2,1H3/b11-10-
SMILES (Click to copy)
C1C=C(CC(=O)CCCCCC/C=C\CCCCCCCCC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
1
Rotatable Bonds
17
Van der Waals Molecular Volume
422.18
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.54
Molar Refractivity
116.27
Admin
Created at
-
Updated at
12th Jul 2023