Structure Database (LMSD)
Common Name
Phytane
Systematic Name
2,6,10,14-tetramethyl-hexadecane
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Phytane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Reference
GC-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
Ke Huanga and Daniel W. Armstrong
Organic Geochemistry
Volume 40, Issue 2, February 2009, Pages 283-286
String Representations
InChiKey (Click to copy)
GGYKPYDKXLHNTI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCC(C)CCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
354.56
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
7.47
Molar Refractivity
94.17
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Updated at
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