Structure Database (LMSD)
Common Name
Phytol
Systematic Name
3R,7R,11R,15-tetramethyl-2E-hexadecen-1-ol
Synonyms
3D model of Phytol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
BOTWFXYSPFMFNR-PYDDKJGSSA-N
InChi (Click to copy)
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
SMILES (Click to copy)
[C@H](C)(CCC/C(/C)=C/CO)CCC[C@H](C)CCCC(C)C
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
360.71
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
6.65
Molar Refractivity
96.05
Admin
Created at
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Updated at
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