Structure Database (LMSD)
Common Name
3-ethyl, 4,4-dimethyl-2-Pentene
Systematic Name
3-ethyl, 4,4-dimethyl-2-Pentene
Synonyms
3D model of 3-ethyl, 4,4-dimethyl-2-Pentene
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)
MNQIWYOURGVWDV-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+
SMILES (Click to copy)
CC(C)(C)/C(/CC)=C/C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
161.62
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.39
Molar Refractivity
43.50
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Updated at
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