3-(1,1-Dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
56496-90-3- Standard SMILES
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21- InChIKey
GECBBEABIDMGGL-UHFFFAOYSA-N- Molecular formula
- C24H36O3
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.26644501
Names & identifiers
- Preferred name
- 3-(1,1-Dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one
- IUPAC
- 1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
- English name
- nabilone
- Molecular formula
- C24H36O3
- Molecular weight
- 372.54
Names & synonyms
56496-90-39H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-3-(1,1-Dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-oneRefChem:1066355Lilly 109514LY-109514Nabilone - API Standards1-Hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo(b,d)pyran-9-oneSCHEMBL563809GTPL9071CHEMBL2218896SCHEMBL29475614
Show more names
9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-
DTXSID80860624CHEBI:135574GECBBEABIDMGGL-UHFFFAOYSA-NGCA46915SYB85847WZB82024L000994Q27087822
Database identifiers
- CAS
56496-90-3- PubChem CID
- 39860
- DTXSID
DTXSID80860624
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
Kovats Retention Index2945.6
Chemistry & industry
Additional notes
DefinitionChEBI: Nabilone is an organic heterotricyclic compound and an organooxygen compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…