EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:35709 - thujane

ChEBI IDCHEBI:35709
ChEBI Namethujane
Stars
Last Modified23 May 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18
Net Charge0
Average Mass138.254
Monoisotopic Mass138.14085
SMILESCC1CCC2(C(C)C)CC12
InChIInChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
InChIKeyGCTNBVHDRFKLLK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
thujane (CHEBI:35709) is a monoterpene (CHEBI:35187)
thujane (CHEBI:35709) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
thujane monoterpenoid (CHEBI:50041) has parent hydride thujane (CHEBI:35709)
thujene (CHEBI:50030) has parent hydride thujane (CHEBI:35709)
IUPAC Names 
thujane
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane
Synonyms  Source
1-isopropyl-4-methylbicyclo[3.1.0]hexaneIUPAC
dihydrosabineneNIST Chemistry WebBook
4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexaneNIST Chemistry WebBook
Manual XrefsDatabases
LMPR0102120029LIPID MAPS
Registry NumbersSources
Beilstein:2496757Beilstein
CAS:471-12-5ChemIDplus
CAS:471-12-5NIST Chemistry WebBook