tert-butyl 3-formylmorpholine-4-carboxylate

C10H17NO4 — CID 22342783

IUPACtert-butyl 3-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8H,4-5,7H2,1-3H3
InChIKeyMOLHQYMJBRBXAN-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.82
Rot. Bonds1

About tert-butyl 3-formylmorpholine-4-carboxylate

tert-butyl 3-formylmorpholine-4-carboxylate (PubChem CID 22342783) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 3-formylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formylmorpholine-4-carboxylate
PubChem CID22342783
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 3-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8H,4-5,7H2,1-3H3
InChIKeyMOLHQYMJBRBXAN-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.82
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-formylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-formylmorpholine-4-carboxylate (CID 22342783) is tert-butyl 3-formylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-formylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-formylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C=O.
What is the InChIKey of tert-butyl 3-formylmorpholine-4-carboxylate?
The InChIKey is MOLHQYMJBRBXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 3-formylmorpholine-4-carboxylate?
tert-butyl 3-formylmorpholine-4-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formylmorpholine-4-carboxylate is sourced from PubChem (CID 22342783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).