EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:18451 - neoisomenthol

ChEBI IDCHEBI:18451
ChEBI Nameneoisomenthol
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC10H20O
Net Charge0
Average Mass156.269
Monoisotopic Mass156.15142
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyNOOLISFMXDJSKH-OPRDCNLKSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
neoisomenthol (CHEBI:18451) is a p-menthan-3-ol (CHEBI:25187)
IUPAC Name 
rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Synonyms  Source
(1α,2α,5α)-5-methyl-2-(1-methylethyl)cyclohexanolNIST Chemistry WebBook
cis-1,3,cis-1,4-mentholNIST Chemistry WebBook
iso-neomentholNIST Chemistry WebBook
Registry NumbersSources
CAS:491-02-1NIST Chemistry WebBook
CAS:491-02-1ChemIDplus