disodium;ethoxyethane;sulfate

C4H10Na2O5S — CID 158792070

IUPACdisodium;ethoxyethane;sulfate
SMILESCCOCC.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H10O.2Na.H2O4S/c1-3-5-4-2;;;1-5(2,3)4/h3-4H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyISKCJXNEYRAPQE-UHFFFAOYSA-L
MW216.17 g/mol
LogP-6.29
Rot. Bonds2

About disodium;ethoxyethane;sulfate

disodium;ethoxyethane;sulfate (PubChem CID 158792070) has the molecular formula C4H10Na2O5S and a molecular weight of 216.17 g/mol. Its IUPAC name is disodium;ethoxyethane;sulfate.

Molecular Properties

Compound Namedisodium;ethoxyethane;sulfate
PubChem CID158792070
Molecular FormulaC4H10Na2O5S
Molecular Weight216.17 g/mol
Exact Mass216.00
IUPAC Namedisodium;ethoxyethane;sulfate
SMILESCCOCC.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H10O.2Na.H2O4S/c1-3-5-4-2;;;1-5(2,3)4/h3-4H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyISKCJXNEYRAPQE-UHFFFAOYSA-L
XLogP-6.29
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-6.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;ethoxyethane;trisulfate
CID 174817386
sodium;ethoxyethane;ethoxy sulfate
CID 88747488
disodium;ethoxyethane
CID 23107014
ethoxyethane;silylsulfonylsilane
CID 173255647
lithium;ethoxyethane;chloride
CID 175344978
dilithium;ethoxyethane;carbonate
CID 173429420
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
sodium;ethoxyethane;hexyl sulfate
CID 88708735
lithium;alumane;ethoxyethane;hydride
CID 173476606
ethoxyethane;formaldehyde
CID 174286087
calcium;sodium;ethoxyethane;hydride
CID 173354921

Frequently Asked Questions

What is the IUPAC name of disodium;ethoxyethane;sulfate?
The IUPAC name of disodium;ethoxyethane;sulfate (CID 158792070) is disodium;ethoxyethane;sulfate.
What is the SMILES notation for disodium;ethoxyethane;sulfate?
The canonical SMILES for disodium;ethoxyethane;sulfate is CCOCC.O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;ethoxyethane;sulfate?
The InChIKey is ISKCJXNEYRAPQE-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O.2Na.H2O4S/c1-3-5-4-2;;;1-5(2,3)4/h3-4H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;ethoxyethane;sulfate?
disodium;ethoxyethane;sulfate has a molecular weight of 216.17 g/mol, XLogP of -6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethoxyethane;sulfate is sourced from PubChem (CID 158792070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).