Structure Database (LMSD)
Common Name
6-oxocineole
Systematic Name
(1R,4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one
Synonyms
- (-)-1,3,3-Trimethyl-2-oxabicyclo(2.2.1)octan-6-one
- (1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one
- (R)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one
- 6-Oxocineole
3D model of 6-oxocineole
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)
CCBAAZXPXFYPBE-OIBJUYFYSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
SMILES (Click to copy)
C1C(=O)[C@@]2(C)CC[C@@H]1C(C)(C)O2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
167.98
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.50
Molar Refractivity
46.94
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Created at
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Updated at
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