Structure via PubChem · Public domain (PubChem)
musk xylene
Sign in to saveAlso known as 2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene, 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene, 5-tert-Butyl-2,4,6-trinitroxylene, 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene, Xylene musk, 2,4,6-Trinitro-5-tert-butyl-m-xylene
chemical compound
Chemical data
- Formula
- C12H15N3O6
- Molecular weight
- 297.26 g/mol
- IUPAC name
- 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
- SMILES
- CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
- InChIKey
- XMWRWTSZNLOZFN-UHFFFAOYSA-N
- XLogP
- 3.8
- Polar surface area
- 137 Ų
- H-bond donors
- 0
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 297.096
Show 4 more facts
- found in taxon
- Moschus
- Commons category
- Nitro musks
- chemical formula
- C₁₂H₁₅N₃O₆
- canonical SMILES
- CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
Sources (2)
via Wikidata · CC0