Structure Database (LMSD)
Common Name
5-(2-hydroxyethyl)isolongifol-4-ene
Systematic Name
Synonyms
- 2-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-4-en-5-yl)ethanol
3D model of 5-(2-hydroxyethyl)isolongifol-4-ene
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
String Representations
InChiKey (Click to copy)
FGNGZCVKAOROFW-PYCCJBKGSA-N
InChi (Click to copy)
InChI=1S/C17H28O/c1-15(2)8-5-12(7-10-18)14-16(3,4)13-6-9-17(14,15)11-13/h5,13-14,18H,6-11H2,1-4H3/t13-,14?,17-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2C(CCO)=CCC3(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
3
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
271.73
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
4.45
Molar Refractivity
75.72
Admin
Created at
-
Updated at
-