sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione

C9H15NNaO3+ — CID 21119566

IUPACsodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)C1(C(C)C)OC(=O)NC1=O.[Na+]
InChIInChI=1S/C9H15NO3.Na/c1-5(2)9(6(3)4)7(11)10-8(12)13-9;/h5-6H,1-4H3,(H,10,11,12);/q;+1
InChIKeyPYXMJLIOYCSYEO-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.69
Rot. Bonds2

About sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione

sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 21119566) has the molecular formula C9H15NNaO3+ and a molecular weight of 208.21 g/mol. Its IUPAC name is sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Namesodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID21119566
Molecular FormulaC9H15NNaO3+
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Namesodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)C1(C(C)C)OC(=O)NC1=O.[Na+]
InChIInChI=1S/C9H15NO3.Na/c1-5(2)9(6(3)4)7(11)10-8(12)13-9;/h5-6H,1-4H3,(H,10,11,12);/q;+1
InChIKeyPYXMJLIOYCSYEO-UHFFFAOYSA-N
XLogP-1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione (CID 21119566) is sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione is CC(C)C1(C(C)C)OC(=O)NC1=O.[Na+].
What is the InChIKey of sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is PYXMJLIOYCSYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.Na/c1-5(2)9(6(3)4)7(11)10-8(12)13-9;/h5-6H,1-4H3,(H,10,11,12);/q;+1.
What are the key properties of sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione?
sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 208.21 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,5-di(propan-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 21119566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).