tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C11H20INO3 — CID 43810962

IUPACtert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CI)COC1(C)C
InChIInChI=1S/C11H20INO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3
InChIKeyRAGBRZVZDZOFAI-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.79
Rot. Bonds1

About tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 43810962) has the molecular formula C11H20INO3 and a molecular weight of 341.19 g/mol. Its IUPAC name is tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID43810962
Molecular FormulaC11H20INO3
Molecular Weight341.19 g/mol
Exact Mass341.05
IUPAC Nametert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CI)COC1(C)C
InChIInChI=1S/C11H20INO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3
InChIKeyRAGBRZVZDZOFAI-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 43810962) is tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CI)COC1(C)C.
What is the InChIKey of tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RAGBRZVZDZOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20INO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 341.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 43810962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).