2-ethoxyethoxy ethyl sulfate

C6H14O6S — CID 23115694

IUPAC2-ethoxyethoxy ethyl sulfate
SMILESCCOCCOOS(=O)(=O)OCC
InChIInChI=1S/C6H14O6S/c1-3-9-5-6-10-12-13(7,8)11-4-2/h3-6H2,1-2H3
InChIKeyBIYBCRNRDDBLFS-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.25
Rot. Bonds8

About 2-ethoxyethoxy ethyl sulfate

2-ethoxyethoxy ethyl sulfate (PubChem CID 23115694) has the molecular formula C6H14O6S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-ethoxyethoxy ethyl sulfate.

Molecular Properties

Compound Name2-ethoxyethoxy ethyl sulfate
PubChem CID23115694
Molecular FormulaC6H14O6S
Molecular Weight214.24 g/mol
Exact Mass214.05
IUPAC Name2-ethoxyethoxy ethyl sulfate
SMILESCCOCCOOS(=O)(=O)OCC
InChIInChI=1S/C6H14O6S/c1-3-9-5-6-10-12-13(7,8)11-4-2/h3-6H2,1-2H3
InChIKeyBIYBCRNRDDBLFS-UHFFFAOYSA-N
XLogP0.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethyl hexoxy sulfate
CID 174871914
2-ethoxyethyl undecoxy sulfate
CID 142735566
ethoxyethane;2-sulfonatooxyethoxy sulfate
CID 23374858
CID 159839688
CID 159839688
1,2-diethoxyethane;hydrofluoride
CID 175535770
diethyl sulfate;iodoethane
CID 157176238
diethyl sulfate;sulfuric acid
CID 158458335
ethoxysulfonyl ethaneperoxoate
CID 168748485
ethyl propyl sulfate;hydrochloride
CID 175489043
2-(1-amino-3-oxotetradecoxy)ethoxy ethyl sulfate
CID 175449149
CID 88731684
CID 88731684
CID 87817922
CID 87817922

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethoxy ethyl sulfate?
The IUPAC name of 2-ethoxyethoxy ethyl sulfate (CID 23115694) is 2-ethoxyethoxy ethyl sulfate.
What is the SMILES notation for 2-ethoxyethoxy ethyl sulfate?
The canonical SMILES for 2-ethoxyethoxy ethyl sulfate is CCOCCOOS(=O)(=O)OCC.
What is the InChIKey of 2-ethoxyethoxy ethyl sulfate?
The InChIKey is BIYBCRNRDDBLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6S/c1-3-9-5-6-10-12-13(7,8)11-4-2/h3-6H2,1-2H3.
What are the key properties of 2-ethoxyethoxy ethyl sulfate?
2-ethoxyethoxy ethyl sulfate has a molecular weight of 214.24 g/mol, XLogP of 0.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethoxy ethyl sulfate is sourced from PubChem (CID 23115694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).