Structure Database (LMSD)

Common Name
10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid
Systematic Name
10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid
Synonyms
  • (2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid
LM ID
LMFA01020279
Status
Active
Exact Mass
Calculate m/z
266.188195
Formula
Abbrev


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)
CZRJNVJQSPMQTQ-DABJYTMYSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16-/m1/s1
SMILES (Click to copy)
[C@H]1(CC/C(/C)=C/CC/C(/C)=C/C(=O)O)O[C@]1(C)CC

References

Other Databases

KEGG ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 291.45
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.66
Molar Refractivity 78.21

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Created at
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Updated at
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