2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate

C7H16O7S — CID 59816255

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C7H16O7S/c1-11-2-3-12-4-5-13-6-7-14-15(8,9)10/h2-7H2,1H3,(H,8,9,10)
InChIKeyISYGKRGHFZCIJP-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.51
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate

2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate (PubChem CID 59816255) has the molecular formula C7H16O7S and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
PubChem CID59816255
Molecular FormulaC7H16O7S
Molecular Weight244.26 g/mol
Exact Mass244.06
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C7H16O7S/c1-11-2-3-12-4-5-13-6-7-14-15(8,9)10/h2-7H2,1H3,(H,8,9,10)
InChIKeyISYGKRGHFZCIJP-UHFFFAOYSA-N
XLogP-0.51
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
2-(2-hydroxyethoxy)ethyl hydrogen sulfate
CID 15300697
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl sulfate
CID 20775345
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14151438
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21351862
calcium;2-butoxyethyl hydrogen sulfate;hydride
CID 173344418
2-(2-octadecoxyethoxy)ethyl hydrogen sulfate
CID 100956617
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 11274827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate (CID 59816255) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate is COCCOCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate?
The InChIKey is ISYGKRGHFZCIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O7S/c1-11-2-3-12-4-5-13-6-7-14-15(8,9)10/h2-7H2,1H3,(H,8,9,10).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate has a molecular weight of 244.26 g/mol, XLogP of -0.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 59816255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).