Basic information
- CAS
1112-96-5- Standard SMILES
CCOP(=O)(CC=CCP(=O)(OCC)OCC)OCC- InChIKey
UMJZMTMJLLSBBF-UHFFFAOYSA-N- Molecular formula
- C12H26O6P2
- Average molar mass
- 328.28 g/mol
- Monoisotopic mass
- 328.12046254
Names & identifiers
- Preferred name
- 1,4-Bis(diethoxy-phosphinyl)-2-butene
- IUPAC
- 1,4-bis(diethoxyphosphoryl)but-2-ene
Names & synonyms
1112-96-51,4-bis(diethoxy-phosphinyl)-2-buteneSCHEMBL1679770DTXSID10912044tetraethyl but-2-ene-1,4-diylbis(phosphonate)
Database identifiers
- CAS
1112-96-5- PubChem CID
- 280285
- DTXSID
DTXSID10912044- EC Number
- 601-070-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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