Basic information
- CAS
66967-66-6- Standard SMILES
CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C.[Br-].[Br-]- InChIKey
RKMIHIRTJISVFH-UHFFFAOYSA-L- Molecular formula
- C38H74Br2N2O4
- Average molar mass
- 782.8 g/mol
- Monoisotopic mass
- 780.40153
Names & identifiers
- Preferred name
- Ammonium, (ethylenebis(carbonyloxyethylene))bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide
- IUPAC
- 2-[4-[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide
Names & synonyms
66967-66-6Ammonium, (ethylenebis(carbonyloxyethylene))bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromideRefChem:318983DTXSID40985701N,N'-[(1,4-dioxobutane-1,4-diyl)bis(oxyethane-2,1-diyl)]bis[N,N-dimethyl-4-(2,2,6-trimethylcyclohexyl)butan-2-aminium] dibromide
Database identifiers
- CAS
66967-66-6- PubChem CID
- 48626
- DTXSID
DTXSID40985701
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 823
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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