Basic information
- CAS
55642-35-8- Standard SMILES
CCOC(=O)C=C(C)OP(=O)(OCC)OCC- InChIKey
JHCCEPMFFLZBLL-UHFFFAOYSA-N- Molecular formula
- C10H19O6P
- Average molar mass
- 266.23 g/mol
- Monoisotopic mass
- 266.09192532
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-[(diethoxyphosphinyl)oxy]-, ethyl ester, (E)-
- IUPAC
- ethyl 3-diethoxyphosphoryloxybut-2-enoate
Names & synonyms
5675-57-055642-35-8ethyl 3-[(diethoxyphosphoryl)oxy]but-2-enoate2-Butenoic acid, 3-[(diethoxyphosphinyl)oxy]-, ethyl ester, (E)-3-(Diethoxyphosphinyloxy)-2-butenoic acid ethyl esterorb1703775SCHEMBL11560967DTXSID80274722ethyl 3-(diethoxy-phosphoryloxy)but-2-enoate
Database identifiers
- CAS
55642-35-8、5675-57-0- PubChem CID
- 21883
- DTXSID
DTXSID80274722
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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