sodium;methanolate;2-methoxyethanol

C4H11NaO3 — CID 88740806

IUPACsodium;methanolate;2-methoxyethanol
SMILESCOCCO.C[O-].[Na+]
InChIInChI=1S/C3H8O2.CH3O.Na/c1-5-3-2-4;1-2;/h4H,2-3H2,1H3;1H3;/q;-1;+1
InChIKeyULZVNYKNALYMIG-UHFFFAOYSA-N
MW130.12 g/mol
LogP-4.39
Rot. Bonds2

About sodium;methanolate;2-methoxyethanol

sodium;methanolate;2-methoxyethanol (PubChem CID 88740806) has the molecular formula C4H11NaO3 and a molecular weight of 130.12 g/mol. Its IUPAC name is sodium;methanolate;2-methoxyethanol.

Molecular Properties

Compound Namesodium;methanolate;2-methoxyethanol
PubChem CID88740806
Molecular FormulaC4H11NaO3
Molecular Weight130.12 g/mol
Exact Mass130.06
IUPAC Namesodium;methanolate;2-methoxyethanol
SMILESCOCCO.C[O-].[Na+]
InChIInChI=1S/C3H8O2.CH3O.Na/c1-5-3-2-4;1-2;/h4H,2-3H2,1H3;1H3;/q;-1;+1
InChIKeyULZVNYKNALYMIG-UHFFFAOYSA-N
XLogP-4.39
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-4.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;methanolate;2-methoxyethanol?
The IUPAC name of sodium;methanolate;2-methoxyethanol (CID 88740806) is sodium;methanolate;2-methoxyethanol.
What is the SMILES notation for sodium;methanolate;2-methoxyethanol?
The canonical SMILES for sodium;methanolate;2-methoxyethanol is COCCO.C[O-].[Na+].
What is the InChIKey of sodium;methanolate;2-methoxyethanol?
The InChIKey is ULZVNYKNALYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.CH3O.Na/c1-5-3-2-4;1-2;/h4H,2-3H2,1H3;1H3;/q;-1;+1.
What are the key properties of sodium;methanolate;2-methoxyethanol?
sodium;methanolate;2-methoxyethanol has a molecular weight of 130.12 g/mol, XLogP of -4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanolate;2-methoxyethanol is sourced from PubChem (CID 88740806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).