tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate

C13H23NO4 — CID 10377765

IUPACtert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate
SMILESCC/C=C/C1CN(C(=O)OC(C)(C)C)C(OC)O1
InChIInChI=1S/C13H23NO4/c1-6-7-8-10-9-14(12(16-5)17-10)11(15)18-13(2,3)4/h7-8,10,12H,6,9H2,1-5H3/b8-7+
InChIKeySARSUIIEOIRHDL-BQYQJAHWSA-N
MW257.33 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate

tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate (PubChem CID 10377765) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate
PubChem CID10377765
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate
SMILESCC/C=C/C1CN(C(=O)OC(C)(C)C)C(OC)O1
InChIInChI=1S/C13H23NO4/c1-6-7-8-10-9-14(12(16-5)17-10)11(15)18-13(2,3)4/h7-8,10,12H,6,9H2,1-5H3/b8-7+
InChIKeySARSUIIEOIRHDL-BQYQJAHWSA-N
XLogP2.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate (CID 10377765) is tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate is CC/C=C/C1CN(C(=O)OC(C)(C)C)C(OC)O1.
What is the InChIKey of tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is SARSUIIEOIRHDL-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H23NO4/c1-6-7-8-10-9-14(12(16-5)17-10)11(15)18-13(2,3)4/h7-8,10,12H,6,9H2,1-5H3/b8-7+.
What are the key properties of tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate?
tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10377765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).