Structure database (LMSD)

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LM IDLMPR0104010006
Common NamePhytanol
Systematic Name3,7R,11R,15-tetramethylhexadecan-1-ol
Synonyms-
Exact Mass
298.3236 (neutral)    Calculate m/z:
FormulaC20H42O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem CID468704
InChIKeyAJAKLDUGVSKVDG-LEAGNCFPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20?/m1/s1
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SMILES
C(CC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
363.35Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.73Molar
Refractivity
96.08