N,N,N,I(2),I(2),9-Hexamethyl-2,4-dioxaspiro[5.5]undec-8-ene-3-ethanaminium
Basic information
- CAS
759452-42-1- Standard SMILES
CC1=CCC2(CC1)COC(C(C)(C)C[N+](C)(C)C)OC2- InChIKey
ZDBJIADJVSZKKA-UHFFFAOYSA-N- Molecular formula
- C17H32NO2+
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.24330426
Names & identifiers
- Preferred name
- N,N,N,I(2),I(2),9-Hexamethyl-2,4-dioxaspiro[5.5]undec-8-ene-3-ethanaminium
- IUPAC
- trimethyl-[2-methyl-2-(9-methyl-2,4-dioxaspiro[5.5]undec-9-en-3-yl)propyl]azanium
Names & synonyms
Oprea1_120057Oprea1_596387DTXSID801160744AKOS000623212759452-42-1N,N,N,2-Tetramethyl-2-(9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl)propan-1-aminiumN,N,N,I(2),I(2),9-Hexamethyl-2,4-dioxaspiro[5.5]undec-8-ene-3-ethanaminium
Database identifiers
- CAS
759452-42-1- PubChem CID
- 830891
- DTXSID
DTXSID801160744
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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