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CHEBI:47900 - 1,3-dimethyladamantane

ChEBI IDCHEBI:47900
ChEBI Name1,3-dimethyladamantane
Stars
Last Modified9 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H20
Net Charge0
Average Mass164.292
Monoisotopic Mass164.15650
SMILESCC12CC3CC(C1)CC(C)(C3)C2
InChIInChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3
InChIKeyCWNOIUTVJRWADX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-dimethyladamantane (CHEBI:47900) has parent hydride adamantane (CHEBI:40519)
1,3-dimethyladamantane (CHEBI:47900) is a adamantanes (CHEBI:51339)
1,3-dimethyladamantane (CHEBI:47900) is a polycyclic alkane (CHEBI:35713)
Incoming Relation(s)
perfluoro-1,3-dimethyladamantane (CHEBI:39007) has functional parent 1,3-dimethyladamantane (CHEBI:47900)
IUPAC Name 
1,3-dimethyladamantane
Synonym  Source
1,3-dimethyltricyclo[3.3.1.13,7]decaneIUPAC
Registry NumbersSources
Beilstein:1849176Beilstein
CAS:702-79-4NIST Chemistry WebBook
CAS:702-79-4ChemIDplus