Structure Database (LMSD)
Common Name
Plaunotol
Systematic Name
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol
Synonyms
- (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol
- Kelnac
- Plaunotolum
3D model of Plaunotol
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
String Representations
InChiKey (Click to copy)
SUWYPNNPLSRNPS-UNTSEYQFSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
SMILES (Click to copy)
C/C(=C/CC/C(/C)=C/CC/C(=C/CC/C(/C)=C/CO)/CO)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
361.58
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.67
Molar Refractivity
97.88
Admin
Created at
-
Updated at
20th Nov 2023