5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione

C9H15NO3 — CID 58799575

IUPAC5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-10-7(11)9(3,4)13-8(10)12/h6H,5H2,1-4H3
InChIKeyZKMITRUMNMODLN-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds2

About 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione (PubChem CID 58799575) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
PubChem CID58799575
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-10-7(11)9(3,4)13-8(10)12/h6H,5H2,1-4H3
InChIKeyZKMITRUMNMODLN-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione (CID 58799575) is 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione is CC(C)CN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is ZKMITRUMNMODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-10-7(11)9(3,4)13-8(10)12/h6H,5H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 185.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58799575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).