tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C19H33NO5 — CID 10784412

About tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10784412) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 10784412
• Molecular Formula: C19H33NO5
• Molecular Weight: 355.48 g/mol
• Exact Mass: 355.24
• IUPAC Name: tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
• SMILES: C=CC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1COC(=O)C(C)(C)C
• InChI: InChI=1S/C19H33NO5/c1-10-11-14-13(12-23-15(21)17(2,3)4)20(19(8,9)24-14)16(22)25-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3/t13-,14+/m1/s1
• InChIKey: WDMQFTKHVVYXHP-KGLIPLIRSA-N
• XLogP: 3.89
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.48
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 10784412) is tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1COC(=O)C(C)(C)C.

What is the InChIKey of tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is WDMQFTKHVVYXHP-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H33NO5/c1-10-11-14-13(12-23-15(21)17(2,3)4)20(19(8,9)24-14)16(22)25-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3/t13-,14+/m1/s1.

What are the key properties of tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R,5S)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10784412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).