Structure Database (LMSD)
Common Name
2,3,6-trimethyl-4-Octene
Systematic Name
2,3,6-trimethyl-4-Octene
Synonyms
3D model of 2,3,6-trimethyl-4-Octene
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
Nostoc sp.
(#1180)
Cyanophyceae
(#3028117)
Separation and identification of hydrocarbons and other volatile compounds from cultured blue-green alga Nostoc sp. by gas chromatography-mass spectrometry using serially coupled capillary columns with consecutive nonpolar and semipolar stationary phases.,
J Chromatogr A, 1999
J Chromatogr A, 1999
Pubmed ID:
10596980
String Representations
InChiKey (Click to copy)
BPHPRVXZLWQTOR-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C11H22/c1-6-10(4)7-8-11(5)9(2)3/h7-11H,6H2,1-5H3/b8-7+
SMILES (Click to copy)
C(=C/C(C)C(C)C)\C(C)CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
196.22
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.88
Molar Refractivity
52.60
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Updated at
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