Structure Database (LMSD)

Common Name
1-ethyl-trans-1,3-dimethycyclohexane
Systematic Name
1-ethyl-trans-1,3-dimethycyclohexane
Synonyms
LM ID
LMFA11000644
Status
Active
Exact Mass
Calculate m/z
140.1565
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

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

References

Reference
Separation and identification of hydrocarbons and other volatile
compounds from cultured blue-green alga Nostoc sp. by gas
chromatography/mass spectrometry...
Valery M. Dembitsky, Ilia Shkrob, Inka Dor
Journal of Chromatography A, 682 (1999) 221-229

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nostoc sp. (#1180)
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

Other Databases

PubChem CID

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

Admin

Created at
-
Updated at
-