ethoxyethane;2-sulfonatooxyethoxy sulfate

C6H14O10S2-2 — CID 23374858

IUPACethoxyethane;2-sulfonatooxyethoxy sulfate
SMILESCCOCC.O=S(=O)([O-])OCCOOS(=O)(=O)[O-]
InChIInChI=1S/C4H10O.C2H6O9S2/c1-3-5-4-2;3-12(4,5)10-2-1-9-11-13(6,7)8/h3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/p-2
InChIKeyOWCYMEXRCJLYEH-UHFFFAOYSA-L
MW310.30 g/mol
LogP-1.09
Rot. Bonds8

About ethoxyethane;2-sulfonatooxyethoxy sulfate

ethoxyethane;2-sulfonatooxyethoxy sulfate (PubChem CID 23374858) has the molecular formula C6H14O10S2-2 and a molecular weight of 310.30 g/mol. Its IUPAC name is ethoxyethane;2-sulfonatooxyethoxy sulfate.

Molecular Properties

Compound Nameethoxyethane;2-sulfonatooxyethoxy sulfate
PubChem CID23374858
Molecular FormulaC6H14O10S2-2
Molecular Weight310.30 g/mol
Exact Mass310.00
IUPAC Nameethoxyethane;2-sulfonatooxyethoxy sulfate
SMILESCCOCC.O=S(=O)([O-])OCCOOS(=O)(=O)[O-]
InChIInChI=1S/C4H10O.C2H6O9S2/c1-3-5-4-2;3-12(4,5)10-2-1-9-11-13(6,7)8/h3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/p-2
InChIKeyOWCYMEXRCJLYEH-UHFFFAOYSA-L
XLogP-1.09
TPSA151.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium;ethoxyethane;ethoxy sulfate
CID 88747488
2-ethoxyethoxy ethyl sulfate
CID 23115694
sodium 2-propoxyethyl sulfate
CID 101475509
sodium;ethoxyethane;hexyl sulfate
CID 88708735
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-octoxyethyl sulfate
CID 59378503
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethyl sulfate
CID 171151962
2-tridecoxyethyl sulfate
CID 123176891
dialuminum;ethoxyethane;trisulfate
CID 174817386
disodium;ethoxyethane;sulfate
CID 158792070
sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate
CID 175691415
ethyl sulfate;yttrium(3+)
CID 57361497

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-sulfonatooxyethoxy sulfate?
The IUPAC name of ethoxyethane;2-sulfonatooxyethoxy sulfate (CID 23374858) is ethoxyethane;2-sulfonatooxyethoxy sulfate.
What is the SMILES notation for ethoxyethane;2-sulfonatooxyethoxy sulfate?
The canonical SMILES for ethoxyethane;2-sulfonatooxyethoxy sulfate is CCOCC.O=S(=O)([O-])OCCOOS(=O)(=O)[O-].
What is the InChIKey of ethoxyethane;2-sulfonatooxyethoxy sulfate?
The InChIKey is OWCYMEXRCJLYEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O.C2H6O9S2/c1-3-5-4-2;3-12(4,5)10-2-1-9-11-13(6,7)8/h3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/p-2.
What are the key properties of ethoxyethane;2-sulfonatooxyethoxy sulfate?
ethoxyethane;2-sulfonatooxyethoxy sulfate has a molecular weight of 310.30 g/mol, XLogP of -1.09, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-sulfonatooxyethoxy sulfate is sourced from PubChem (CID 23374858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).