3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
Basic information
- CAS
55044-22-9- Standard SMILES
CC(C#N)CN=C1C(C)(C)OC1(c1ccccc1)c1ccccc1- InChIKey
FSFXUSOEVVHABW-UHFFFAOYSA-N- Molecular formula
- C21H22N2O
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.17321333
Names & identifiers
- Preferred name
- 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
- IUPAC
- 3-[(2,2-dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
- English name
- 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
- Molecular formula
- C21H22N2O
- Molecular weight
- 318.41
Names & synonyms
3-[(2,2-dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile55044-22-9DTXSID90338642FSFXUSOEVVHABW-FCDQGJHFSA-NPropanenitrile, 3-[(2,2-dimethyl-4,4-diphenyl-3-oxetanylidene)amino]-2-methyl-DB-3043083-([(3E)-2,2-Dimethyl-4,4-diphenyloxetanylidene]amino)-2-methylpropanenitrile #3-[(E)-(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
Database identifiers
- CAS
55044-22-9- PubChem CID
- 550404
- DTXSID
DTXSID90338642- Nikkaji
- J108.489E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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