disodium;1,2-dimethoxyethane;carbonate

C5H10Na2O5 — CID 86669059

IUPACdisodium;1,2-dimethoxyethane;carbonate
SMILESCOCCOC.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H10O2.CH2O3.2Na/c1-5-3-4-6-2;2-1(3)4;;/h3-4H2,1-2H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyXPCYODWKNPVMOJ-UHFFFAOYSA-L
MW196.11 g/mol
LogP-8.16
Rot. Bonds3

About disodium;1,2-dimethoxyethane;carbonate

disodium;1,2-dimethoxyethane;carbonate (PubChem CID 86669059) has the molecular formula C5H10Na2O5 and a molecular weight of 196.11 g/mol. Its IUPAC name is disodium;1,2-dimethoxyethane;carbonate.

Molecular Properties

Compound Namedisodium;1,2-dimethoxyethane;carbonate
PubChem CID86669059
Molecular FormulaC5H10Na2O5
Molecular Weight196.11 g/mol
Exact Mass196.03
IUPAC Namedisodium;1,2-dimethoxyethane;carbonate
SMILESCOCCOC.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H10O2.CH2O3.2Na/c1-5-3-4-6-2;2-1(3)4;;/h3-4H2,1-2H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyXPCYODWKNPVMOJ-UHFFFAOYSA-L
XLogP-8.16
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 5-8.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;1,2-dimethoxyethane;carbonate?
The IUPAC name of disodium;1,2-dimethoxyethane;carbonate (CID 86669059) is disodium;1,2-dimethoxyethane;carbonate.
What is the SMILES notation for disodium;1,2-dimethoxyethane;carbonate?
The canonical SMILES for disodium;1,2-dimethoxyethane;carbonate is COCCOC.O=C([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;1,2-dimethoxyethane;carbonate?
The InChIKey is XPCYODWKNPVMOJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O2.CH2O3.2Na/c1-5-3-4-6-2;2-1(3)4;;/h3-4H2,1-2H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of disodium;1,2-dimethoxyethane;carbonate?
disodium;1,2-dimethoxyethane;carbonate has a molecular weight of 196.11 g/mol, XLogP of -8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,2-dimethoxyethane;carbonate is sourced from PubChem (CID 86669059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).