Structure Database (LMSD)

Common Name
2R3R-epoxyneral
Systematic Name
2R,3R-Epoxy-3,7-dimethyl-6-octenal
Synonyms
LM ID
LMPR0102010024
Status
Active
Exact Mass
Calculate m/z
168.11503
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)
KXDDDNKGVUBFQS-VHSXEESVSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3/t9-,10+/m0/s1
SMILES (Click to copy)
C(=O)[C@@H]1O[C@]1(C)CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 181.50
Topological Polar Surface Area 29.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.66
Molar Refractivity 49.03

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Created at
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Updated at
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