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65883-12-7 molecular structure
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2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl methanesulfonate

ChemBase ID: 172594
Molecular Formular: C9H20O7S
Molecular Mass: 272.3159
Monoisotopic Mass: 272.09297398
SMILES and InChIs

SMILES:
OCCOCCOCCOCCOS(=O)(=O)C
Canonical SMILES:
OCCOCCOCCOCCOS(=O)(=O)C
InChI:
InChI=1S/C9H20O7S/c1-17(11,12)16-9-8-15-7-6-14-5-4-13-3-2-10/h10H,2-9H2,1H3
InChIKey:
YCKREPSOVRTYRC-UHFFFAOYSA-N

Cite this record

CBID:172594 http://www.chembase.cn/molecule-172594.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl methanesulfonate
IUPAC Traditional name
2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl methanesulfonate
Synonyms
3,6,9,12-Tetraoxa-2-thiatetradecan-14-ol 2,2-Dioxide
1-Methanesulfonyl-11-hydroxy-3,6,9-trioxaundecane
CAS Number
65883-12-7
PubChem SID
164228504
PubChem CID
4367373

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M258820 external link Add to cart
PubChem 4367373 external link
Data Source Data ID Price
TRC
M258820 external link Add to cart Please log in.
Data Source Data ID
PubChem 4367373 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) -1.4134414 
LogD (pH = 7.4) -1.4134414  Log P -1.4134414 
Molar Refractivity 60.4366 cm3 Polarizability 25.10005 Å3
Polar Surface Area 91.29 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Apperance
Brown Oily Residue expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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