Structure Database (LMSD)

Common Name
Isomyristic acid
Systematic Name
12-methyl-tridecanoic acid
Synonyms
  • 12-methyltridecylic acid
LM ID
LMFA01020007
Status
Active
Exact Mass
Calculate m/z
228.20893
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
PubChem CID
PlantFA 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
-