5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
Basic information
- CAS
5702-39-6- Standard SMILES
C/C=C/C1OCC(CC)([N+](=O)[O-])CO1- InChIKey
PJTUIAHVKHAQKP-HWKANZROSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.10010796
Names & identifiers
- Preferred name
- 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
- IUPAC
- 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
Names & synonyms
NSC82125702-39-6DTXSID10417786NSC-8212NSC406737NSC-4067375-Ethyl-5-nitro-2-[(1E)-prop-1-en-1-yl]-1,3-dioxane
Database identifiers
- CAS
5702-39-6- PubChem CID
- 5354375
- DTXSID
DTXSID10417786
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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