Structure Database (LMSD)
Common Name
1,8-Cineol
Systematic Name
Synonyms
3D model of 1,8-Cineol
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)
WEEGYLXZBRQIMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES (Click to copy)
C12(C)CCC(CC1)C(C)(C)O2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
161.83
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
3.32
Molar Refractivity
46.55
Admin
Created at
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Updated at
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