| CAS Number | 5943-61-3 |
| Catalog Number | AG00IAJX(AGN-PC-0WCX6D) |
| Chemical Name | Tetraethyl octane-1,8-diylbis(phosphonate) |
| IUPAC Name | 1,8-bis(diethoxyphosphoryl)octane |
| InChI | InChI=1S/C16H36O6P2/c1-5-19-23(17,20-6-2)15-13-11-9-10-12-14-16-24(18,21-7-3)22-8-4/h5-16H2,1-4H3 |
| InChI Key | BEWTYNZLBMSWOS-UHFFFAOYSA-N |
| MDL Number | MFCD24539459 |
| Molecular Formula | C16H36O6P2 |
| Molecular Weight | 386.4010 |
| SMILES | CCOP(=O)(OCC)CCCCCCCCP(=O)(OCC)OCC |
| Synonyms | tetraethyl octane-1,8-diylbis(phosphonate),
5943-61-3,
Tetraethyl (1,8-octylene)bisphosphonate,
MFCD24539459,
ZINC38594926,
BP-21692,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.406g/mol |
| Monoisotopic Mass | 386.199g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number