(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione

C11H19NO3 — CID 14895513

IUPAC(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)[C@@H]1C(=O)OC(=O)N1C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)7-8(13)15-9(14)12(7)11(4,5)6/h7H,1-6H3/t7-/m0/s1
InChIKeyCSQYNVZECSEAKD-ZETCQYMHSA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds

About (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione

(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione (PubChem CID 14895513) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione
PubChem CID14895513
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)[C@@H]1C(=O)OC(=O)N1C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)7-8(13)15-9(14)12(7)11(4,5)6/h7H,1-6H3/t7-/m0/s1
InChIKeyCSQYNVZECSEAKD-ZETCQYMHSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione (CID 14895513) is (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione is CC(C)(C)[C@@H]1C(=O)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione?
The InChIKey is CSQYNVZECSEAKD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)7-8(13)15-9(14)12(7)11(4,5)6/h7H,1-6H3/t7-/m0/s1.
What are the key properties of (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione?
(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 14895513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).