Structure database (LMSD)

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LM IDLMPR0104010019
Common NamePhytane (W)
Systematic Name2,6,10,14-tetramethyl-hexadecane
Synonyms-
Exact Mass
282.3287 (neutral)    Calculate m/z:
FormulaC20H42
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem Compound ID (CID)12523
InChIKeyGGYKPYDKXLHNTI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16
H2,1-6H3
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC
StatusActive
ReferencesGC-MS analysis of crocetane, phytane and some of their stereoisomers using cyclodextrin-based stationary phases
Ke Huanga and Daniel W. Armstrong
Organic Geochemistry
Volume 40, Issue 2, February 2009, Pages 283-286
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
354.56Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP7.47Molar
Refractivity
94.17    
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