| CAS Number | 1036204-61-1 |
| Catalog Number | AG00979X(AGN-PC-0WR1TU) |
| Chemical Name | 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxanonatriacont-38-yn-1-ol |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI | InChI=1S/C27H52O13/c1-2-4-29-6-8-31-10-12-33-14-16-35-18-20-37-22-24-39-26-27-40-25-23-38-21-19-36-17-15-34-13-11-32-9-7-30-5-3-28/h1,28H,3-27H2 |
| InChI Key | FLGCCIHLPCYSCV-UHFFFAOYSA-N |
| MDL Number | MFCD28334508 |
| Molecular Formula | C27H52O13 |
| Molecular Weight | 584.6940 |
| SMILES | C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonyms | Propargyl-PEG13-alcohol,
1036204-61-1,
BIPG1720,
SCHEMBL19228951,
ZINC222803354,
BP-22517,
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(Propargyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,
|
| Complexity | 504 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 584.341g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.7g/mol |
| Monoisotopic Mass | 584.341g/mol |
| Rotatable Bond Count | 36 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number