Structure Database (LMSD)

Common Name
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
Systematic Name
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
Synonyms
LM ID
LMFA11000054
Status
Active
Exact Mass
Calculate m/z
176.1565
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

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
RRPFGKUHEMWGSW-RYNMLCPOSA-N
InChi (Click to copy)
InChI=1S/C13H20/c1-6-8-12(4)10-13(5)9-11(3)7-2/h6-10H,1-5H3/b8-6+,11-7+,12-10+,13-9+
SMILES (Click to copy)
C/C=C(\C)/C=C(\C)/C=C(\C)/C=C/C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 222.90
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 61.76

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Created at
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Updated at
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