sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione

C10H16NNaO3 — CID 23713038

IUPACsodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCCCC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C10H17NO3.Na/c1-3-4-5-6-7-10(2)8(12)11-9(13)14-10;/h3-7H2,1-2H3,(H,11,12,13);/q;+1/p-1
InChIKeyBPALSJRJYDXLOS-UHFFFAOYSA-M
MW221.23 g/mol
LogP-0.23
Rot. Bonds5

About sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione

sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 23713038) has the molecular formula C10H16NNaO3 and a molecular weight of 221.23 g/mol. Its IUPAC name is sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID23713038
Molecular FormulaC10H16NNaO3
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Namesodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCCCC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C10H17NO3.Na/c1-3-4-5-6-7-10(2)8(12)11-9(13)14-10;/h3-7H2,1-2H3,(H,11,12,13);/q;+1/p-1
InChIKeyBPALSJRJYDXLOS-UHFFFAOYSA-M
XLogP-0.23
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione (CID 23713038) is sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione is CCCCCCC1(C)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is BPALSJRJYDXLOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO3.Na/c1-3-4-5-6-7-10(2)8(12)11-9(13)14-10;/h3-7H2,1-2H3,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 221.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-hexyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23713038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).