Structure Database (LMSD)

Systematic Name
2,6-Dimethyl-2,3R-epoxyocta-5E,7-diene
Synonyms
LM ID
LMPR0102010025
Status
Active
Exact Mass
Calculate m/z
152.120115
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Comments
Pherobase Semiochemicals

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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