tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate

C15H32O8S — CID 58408813

IUPACtert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate
SMILESCOCCOCCOCCOCCOCCS(=O)(=O)OC(C)(C)C
InChIInChI=1S/C15H32O8S/c1-15(2,3)23-24(16,17)14-13-22-12-11-21-10-9-20-8-7-19-6-5-18-4/h5-14H2,1-4H3
InChIKeyLKERIFOVKQHODG-UHFFFAOYSA-N
MW372.48 g/mol
LogP0.84
Rot. Bonds16

About tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate

tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate (PubChem CID 58408813) has the molecular formula C15H32O8S and a molecular weight of 372.48 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate
PubChem CID58408813
Molecular FormulaC15H32O8S
Molecular Weight372.48 g/mol
Exact Mass372.18
IUPAC Nametert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate
SMILESCOCCOCCOCCOCCOCCS(=O)(=O)OC(C)(C)C
InChIInChI=1S/C15H32O8S/c1-15(2,3)23-24(16,17)14-13-22-12-11-21-10-9-20-8-7-19-6-5-18-4/h5-14H2,1-4H3
InChIKeyLKERIFOVKQHODG-UHFFFAOYSA-N
XLogP0.84
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate?
The IUPAC name of tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate (CID 58408813) is tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate is COCCOCCOCCOCCOCCS(=O)(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate?
The InChIKey is LKERIFOVKQHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O8S/c1-15(2,3)23-24(16,17)14-13-22-12-11-21-10-9-20-8-7-19-6-5-18-4/h5-14H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate?
tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate has a molecular weight of 372.48 g/mol, XLogP of 0.84, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate is sourced from PubChem (CID 58408813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).