Structure Database (LMSD)
Common Name
6-endo-hydroxycineole
Systematic Name
(1R,4S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Synonyms
- 6-endo-Hydroxycineole
- 6-endo-hydroxycineole
3D model of 6-endo-hydroxycineole
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)
YVCUGZBVCHODNB-OYNCUSHFSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
SMILES (Click to copy)
C1[C@H](O)[C@@]2(C)CC[C@@H]1C(C)(C)O2
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
170.62
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.57
Molar Refractivity
48.45
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Created at
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Updated at
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