Structure Database (LMSD)
Common Name
9(Z)-13-HOME
Systematic Name
13-Hydroxy-cis-9-octadecenoic acid
Synonyms
3D model of 9(Z)-13-HOME
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
QVAVREIGSFJSOU-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,17,19H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCC(O)CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
341.05
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.37
Molar Refractivity
88.99
Admin
Created at
26th Nov 2024
Updated at
26th Nov 2024