Structure Database (LMSD)
Common Name
Isomyristic acid
Systematic Name
12-methyl-tridecanoic acid
Synonyms
- 12-methyltridecylic acid
3D model of Isomyristic acid
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
String Representations
InChiKey (Click to copy)
YYVJAABUJYRQJO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
SMILES (Click to copy)
C(CC(C)C)CCCCCCCCC(=O)O
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0232
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
265.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.63
Molar Refractivity
68.64
Admin
Created at
-
Updated at
9th Jun 2022