3,6,9,12,15-Pentaoxahexadecanoic acid
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Basic information
- CAS
16024-66-1- Standard SMILES
COCCOCCOCCOCCOCC(=O)O- InChIKey
DDTZAHIJJCRGFT-UHFFFAOYSA-N- Molecular formula
- C11H22O7
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.13655304
Names & identifiers
- Preferred name
- 3,6,9,12,15-Pentaoxahexadecanoic acid
- IUPAC
- 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid
- English name
- 2,5,8,11,14-pentaoxahexadecan-16-oic acid
- Molecular formula
- C11H22O7
- Molecular weight
- 266.29
Names & synonyms
16024-66-12,5,8,11,14-Pentaoxahexadecan-16-oic acid3,6,9,12,15-pentaoxahexadecanoic acidDTXSID50166842RefChem:1066056DTXCID2089333240-163-7mPEG4-CH2COOHMFCD000217592-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid3,6,9,12,15-PentaoxahexadecanoicacidEINECS 240-163-7
Show more names
m-PEG5-CH3COOHCAS_16024-66-1mPEG4-acetic acid2,5,8,11,14-Pentaoxahexadecan-16-suremPEG4-CH2COOH/3,6,9,12,15-Pentaoxahexadecanoic acid
BT-0124HY-130478CS-01082112,5,8,11,14-Pentaoxa-16-hexadecanoic AcidC70295m-PEG4-acetic acidMethyl-PEG4-CH2COOH2-(2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)ethoxy)acetic acid
Database identifiers
- CAS
16024-66-1- PubChem CID
- 85242
- DTXSID
DTXSID50166842- EC Number
- 240-163-7
- Nikkaji
- J219.943B
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 379.6 · 379.6±32.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (375.53 mM; Need ultrasonic)
- pka
- 3.39 · 3.39±0.10(Predicted)
- form
- Liquid
- color
- Colorless to light yellow
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338+P310
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
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Applications
Descriptionm-PEG5-CH2COOH is a PEG linker containing a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The hydrophilic PEG spacer increases solubility in aqueous media.
Usesm-PEG4-CH2COOH is a PEG-based based PROTAC linker can be used in the synthesis of PROTACs.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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