Structure Database (LMSD)
Common Name
6,10-Dimethyl-5(E),9-undecadien-2-one
Systematic Name
6,10-Dimethyl-5(E),9-undecadien-2-one
Synonyms
3D model of 6,10-Dimethyl-5(E),9-undecadien-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Microcoleus vaginatus
(#119532)
Cyanophyceae
(#3028117)
[Branched alkanes and other apolar compounds produced by the cyanobacterium Microcoleus vaginatus from the Negev desert],
Bioorg Khim, 2001
Bioorg Khim, 2001
Pubmed ID:
11357397
String Representations
InChiKey (Click to copy)
HNZUNIKWNYHEJJ-FMIVXFBMSA-N
InChi (Click to copy)
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
SMILES (Click to copy)
CC(=O)CC/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
234.33
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.05
Molar Refractivity
62.34
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Updated at
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