Structure Database (LMSD)

Common Name
1-ethyl-trans-1,3-dimethycyclohexane
Systematic Name
1-ethyl-trans-1,3-dimethycyclohexane
Synonyms
LM ID
LMFA11000644
Formula
C10H20
Exact Mass
Calculate m/z
140.1565
Status
Curated
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)
YLZKVXHQMPWDBJ-ZJUUUORDSA-N
InChi (Click to copy)
InChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3/t9-,10+/m1/s1
SMILES (Click to copy)
C1CC[C@@](CC)(C)C[C@@H]1C

Other Databases

PubChem CID
22213910

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 169.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.61
Molar Refractivity 46.03

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