Structure Database (LMSD)
Common Name
2,2-Dimethyl-3-ethylpentane
Systematic Name
2,2-Dimethyl-3-ethylpentane
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2,2-Dimethyl-3-ethylpentane
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)
CLZCPQKGOAXOJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3
SMILES (Click to copy)
CCC(CC)C(C)(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
164.26
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.47
Molar Refractivity
43.53
Admin
Created at
-
Updated at
-