Structure Database (LMSD)
Systematic Name
2,6-Dimethyl-2,3R-epoxyocta-5E,7-diene
Synonyms
3D model of
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
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
LIMXJCIGROLRED-BNICOGTQSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+/t9-/m1/s1
SMILES (Click to copy)
C[C@]1(O[C@@H]1C/C=C(\C)/C=C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
172.71
Topological Polar Surface Area
12.53
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
3.26
Molar Refractivity
48.55
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Created at
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Updated at
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