Structure Database (LMSD)
Common Name
2,2,3,4-Tetramethylpentane
Systematic Name
2,2,3,4-Tetramethylpentane
Synonyms
3D model of 2,2,3,4-Tetramethylpentane
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)
VZFMYOCAEQDWDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
SMILES (Click to copy)
CC(C)(C)C(C)C(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
164.26
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.32
Molar Refractivity
43.46
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Updated at
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