Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020035
Common Name2,6-dimethyl-dodecanoic acid
Systematic Name2,6-dimethyl-dodecanoic acid
Synonyms-
Exact Mass
228.2089 (neutral)    Calculate m/z:
FormulaC14H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7003
PubChem CID5282616
InChIKeyNLVPGERPIDEVFU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H28O2/c1-4-5-6-7-9-12(2)10-8-11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(
H,15,16)
SMILESC(CC)CCCC(C)CCCC(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
265.70Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.48Molar
Refractivity
68.57