sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione

C9H15NNaO3+ — CID 21119422

IUPACsodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CC1(C)OC(=O)NC1=O.[Na+]
InChIInChI=1S/C9H15NO3.Na/c1-8(2,3)5-9(4)6(11)10-7(12)13-9;/h5H2,1-4H3,(H,10,11,12);/q;+1
InChIKeyKDIPZICLLKEZHS-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.55
Rot. Bonds1

About sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione

sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 21119422) has the molecular formula C9H15NNaO3+ and a molecular weight of 208.21 g/mol. Its IUPAC name is sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Namesodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID21119422
Molecular FormulaC9H15NNaO3+
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Namesodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CC1(C)OC(=O)NC1=O.[Na+]
InChIInChI=1S/C9H15NO3.Na/c1-8(2,3)5-9(4)6(11)10-7(12)13-9;/h5H2,1-4H3,(H,10,11,12);/q;+1
InChIKeyKDIPZICLLKEZHS-UHFFFAOYSA-N
XLogP-1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propazone sodium
CID 23686435
Sodium 5-butyl-5-methyl-2-oxo-2,5-dihydro-1,3-oxazol-4-olate
CID 23713033
Sodium 5-(2,2-dimethylpropyl)-5-methyl-2-oxo-2,5-dihydro-1,3-oxazol-4-olate
CID 23713041
2,4-Oxazolidinedione, 5,5-dipropyl-
CID 79876
5-Butyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 115729
5-Tert-butyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 115731
5-(2,2-Dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 115745
5,5-Bis(2-methylpropyl)-1,3-oxazolidine-2,4-dione
CID 116380
5,5-Diisopropyloxazolidine-2,4-dione
CID 116382
5-(3-(18F)fluoropropyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 451217
5-(3-Fluoropropyl)-5-methyloxazolidine-2,4-dione
CID 14363281
5-Methyl-5-propyl-1,3-oxazolidine-2,4-dione
CID 19005788

Frequently Asked Questions

What is the IUPAC name of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione (CID 21119422) is sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione is CC(C)(C)CC1(C)OC(=O)NC1=O.[Na+].
What is the InChIKey of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is KDIPZICLLKEZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.Na/c1-8(2,3)5-9(4)6(11)10-7(12)13-9;/h5H2,1-4H3,(H,10,11,12);/q;+1.
What are the key properties of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione?
sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 208.21 g/mol, XLogP of -1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 21119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).