4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione

C8H13NO3 — CID 14895510

IUPAC4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
SMILESCN1C(=O)OC(=O)C1C(C)(C)C
InChIInChI=1S/C8H13NO3/c1-8(2,3)5-6(10)12-7(11)9(5)4/h5H,1-4H3
InChIKeyBEHGKYFZESVCRC-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds

About 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione

4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione (PubChem CID 14895510) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
PubChem CID14895510
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
SMILESCN1C(=O)OC(=O)C1C(C)(C)C
InChIInChI=1S/C8H13NO3/c1-8(2,3)5-6(10)12-7(11)9(5)4/h5H,1-4H3
InChIKeyBEHGKYFZESVCRC-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.01
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 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione (CID 14895510) is 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione is CN1C(=O)OC(=O)C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
The InChIKey is BEHGKYFZESVCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,3)5-6(10)12-7(11)9(5)4/h5H,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 14895510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).