Structure database (LMSD)

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LM IDLMPR0102050002
Common Name-
Systematic Name1-ethyl-2,4-dimethycyclohexane
Synonyms-
Exact Mass
140.1565 (neutral)    Calculate m/z:
FormulaC10H20
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Ethyl,dimethylcyclohexane monoterpenoids [PR010205]
PubChem Compound ID (CID)108537
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyKRFHQQXJAGLZLP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H20/c1-4-10-6-5-8(2)7-9(10)3/h8-10H,4-7H2,1-3H3
SMILESCCC1CCC(C)CC1C
StatusActive
ReferencesSeparation 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
Calculated physicochemical properties (?):
 Heavy Atoms10Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
169.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.47Molar
Refractivity
45.96    
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