Br-PEG6-CH2COOtBu
Basic information
- CAS
297162-48-2- Standard SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCBr- InChIKey
NSJKJZIFAGKWIN-UHFFFAOYSA-N- Molecular formula
- C18H35BrO8
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 458.15153
Names & identifiers
- Preferred name
- Br-PEG6-CH2COOtBu
- IUPAC
- tert-butyl 2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
- English name
- Br-PEG6-CH2COOtBu
- Molecular formula
- C18H35BrO8
- Molecular weight
- 459.37
Names & synonyms
Br-PEG6-CH2COOtBu297162-48-2tert-Butyl 20-bromo-3,6,9,12,15,18-hexaoxaicosanoateMFCD316569621,1-Dimethylethyl 20-bromo-3,6,9,12,15,18-hexaoxaeicosanoatetert-butyl 2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate3,6,9,12,15,18-Hexaoxaeicosanoic acid, 20-bromo-, 1,1-dimethylethyl esterBr-PEG6-CH2-BocBromo-PEG6-CH2CO2tBuC18H35BrO8orb3134875SCHEMBL4504648
Show more names
CH2COOH t-Bu Ester-PEG6-Bromide20-bromo-3,6,9,12,15,18-hexaoxydidecalkaneacidtertbutyl esterBr-PEG6-CH2COOtBu/3,6,9,12,15,18-Hexaoxaeicosanoic acid, 20-bromo-, 1,1-dimethylethyl ester
NSJKJZIFAGKWIN-UHFFFAOYSA-NDTXSID901187088HY-W190969BP-43009DA-51433SY285788CS-0254674F80969
Database identifiers
- CAS
297162-48-2- PubChem CID
- 86616366
- DTXSID
DTXSID901187088
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Appearance
- colorless to yellow liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
UsesBr-PEG6-CH2COOtBu is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
2 records
Compound notes
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