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CHEBI:59136 - 1-isocyanatomethyl-1,3,3-trimethylcyclohexane

ChEBI IDCHEBI:59136
ChEBI Name1-isocyanatomethyl-1,3,3-trimethylcyclohexane
Stars
DefinitionAn isocyanate that is 1,1,3,3-tetramethylcyclohexane in which one of the methyl groups carries a isocyanato substituent.
Last Modified22 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H19NO
Net Charge0
Average Mass181.279
Monoisotopic Mass181.14666
SMILESCC1(C)CCCC(C)(CN=C=O)C1
InChIInChI=1S/C11H19NO/c1-10(2)5-4-6-11(3,7-10)8-12-9-13/h4-8H2,1-3H3
InChIKeyTZBAIMGBDFXZMO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-isocyanatomethyl-1,3,3-trimethylcyclohexane (CHEBI:59136) is a isocyanates (CHEBI:53212)
IUPAC Name 
1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Citations