| CAS Number | 1245823-50-0 |
| Catalog Number | AG000MEW(AGN-PC-0WNOHJ) |
| Chemical Name | 4,7,10,13,16-Pentaoxanonadec-18-ynoic acid, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C18H32O7/c1-5-7-20-9-11-22-13-15-24-16-14-23-12-10-21-8-6-17(19)25-18(2,3)4/h1H,6-16H2,2-4H3 |
| InChI Key | YPLMNICQRHSVNT-UHFFFAOYSA-N |
| MDL Number | MFCD22201534 |
| Molecular Formula | C18H32O7 |
| Molecular Weight | 360.4425 |
| SMILES | C(CCOCCOCCOCCOCCOCC#C)(=O)OC(C)(C)C |
| Synonyms | propargyl-PEG5-t-butyl ester,
1245823-50-0,
tert-Butyl 4,7,10,13,16-pentaoxanonadec-18-yn-1-oate,
BIPG1746,
SCHEMBL12092311,
KM4531,
MFCD22201534,
ZINC79016687,
AKOS030630020,
BP-20651,
4,7,10,13,16-Pentaoxanonadec-18-ynoic acid, 1,1-dimethylethyl ester,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.447g/mol |
| Monoisotopic Mass | 360.215g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number