tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate

C11H19NO4 — CID 118989093

IUPACtert-butyl 3-formyl-3-methylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1(C)C=O
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-5-6-15-8-11(12,4)7-13/h7H,5-6,8H2,1-4H3
InChIKeyZNRGBHIYBIVSGT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate

tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate (PubChem CID 118989093) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formyl-3-methylmorpholine-4-carboxylate
PubChem CID118989093
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl 3-formyl-3-methylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1(C)C=O
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-5-6-15-8-11(12,4)7-13/h7H,5-6,8H2,1-4H3
InChIKeyZNRGBHIYBIVSGT-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate (CID 118989093) is tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1(C)C=O.
What is the InChIKey of tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate?
The InChIKey is ZNRGBHIYBIVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-5-6-15-8-11(12,4)7-13/h7H,5-6,8H2,1-4H3.
What are the key properties of tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate?
tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formyl-3-methylmorpholine-4-carboxylate is sourced from PubChem (CID 118989093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).