Structure Database (LMSD)
Common Name
2,3-dimethyloctane
Systematic Name
2,3-dimethyloctane
Synonyms
3D model of 2,3-dimethyloctane
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)
YPMNDMUOGQJCLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
SMILES (Click to copy)
CCCCCC(C)C(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
181.56
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.86
Molar Refractivity
48.14
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Updated at
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