Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0105010013
Common NameC25 Highly branched isoprenoid
Systematic Name2,6,10,14-tetramethyl-7-(3-methyl-pentyl)-pentadecane
Synonyms-
Exact Mass
352.4069 (neutral)    Calculate m/z:
FormulaC25H52
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID14275206
InChIKeyOFIAQLKCCAODLR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H52/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2
)3/h20-25H,9-19H2,1-8H3
SMILESCC(CCCC(C)C(CCC(C)CCCC(C)C)CCC(CC)C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
441.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP9.13Molar
Refractivity
117.12