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
Main
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
References
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