Structure Database (LMSD)
Common Name
3-ethyl-2-methylpentane
Systematic Name
3-ethyl-2-methylpentane
Synonyms
3D model of 3-ethyl-2-methylpentane
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)
DUPUVYJQZSLSJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3
SMILES (Click to copy)
C(C(CC)C(C)C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
146.96
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.08
Molar Refractivity
38.91
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Updated at
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