Structure Database (LMSD)
Common Name
(+)-geosmin
Systematic Name
(4R,4aR,8aS)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
Synonyms
3D model of (+)-geosmin
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)
JLPUXFOGCDVKGO-GRYCIOLGSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
SMILES (Click to copy)
C1C[C@]2(CCC[C@H]([C@@]2(CC1)O)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
200.23
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
3.40
Molar Refractivity
55.05
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Created at
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Updated at
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