Structure Database (LMSD)

Common Name
3,6-dimethyloctane
Systematic Name
3,6-dimethyloctane
Synonyms
LM ID
LMFA11000622
Formula
C10H22
Exact Mass
Calculate m/z
142.17215
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

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
Pubmed ID: 10596980

String Representations

InChiKey (Click to copy)
JEEQUUSFXYRPRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3
SMILES (Click to copy)
CCC(C)CCC(C)CC

Other Databases

PubChem CID
85927

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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