Structure Database (LMSD)
Common Name
5-ethyl-2-methyloctane
Systematic Name
5-ethyl-2-methyloctane
Synonyms
3D model of 5-ethyl-2-methyloctane
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)
CQCKNPUKBOITAX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H24/c1-5-7-11(6-2)9-8-10(3)4/h10-11H,5-9H2,1-4H3
SMILES (Click to copy)
CCCC(CC)CCC(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
198.86
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.25
Molar Refractivity
52.76
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Updated at
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