(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylidenepent-4-enenitrile
Basic information
- CAS
794527-75-6- Standard SMILES
C=C(C#N)C(O)/C=C/[C@H]1COC(C)(C)O1- InChIKey
RUVFLXOEQAUCML-WTPAVHSTSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylidenepent-4-enenitrile
- IUPAC
- (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylidenepent-4-enenitrile
- English name
- 4-Pentenenitrile,5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylene-,(4E)-(9CI)
- Molecular formula
- C11H15NO3
- Molecular weight
- 0
Names & synonyms
4-Pentenenitrile,5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylene-,(4E)-(9CI)
Database identifiers
- CAS
794527-75-6- PubChem CID
- 45097166
- Nikkaji
- J2.093.660F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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