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

C15H32O11S — CID 21045111

IUPAC2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
SMILESCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C15H32O11S/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-27(16,17)18/h2-15H2,1H3,(H,16,17,18)
InChIKeyBSDCDLPYJLIBBM-UHFFFAOYSA-N
MW420.48 g/mol
LogP-0.45
Rot. Bonds22

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

2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate (PubChem CID 21045111) has the molecular formula C15H32O11S and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
PubChem CID21045111
Molecular FormulaC15H32O11S
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
SMILESCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C15H32O11S/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-27(16,17)18/h2-15H2,1H3,(H,16,17,18)
InChIKeyBSDCDLPYJLIBBM-UHFFFAOYSA-N
XLogP-0.45
TPSA128.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate (CID 21045111) is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate is COCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate?
The InChIKey is BSDCDLPYJLIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O11S/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-27(16,17)18/h2-15H2,1H3,(H,16,17,18).
What are the key properties of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate?
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate has a molecular weight of 420.48 g/mol, XLogP of -0.45, 22 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 21045111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).