ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate

C14H27NO5 — CID 10493664

IUPACethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(COOC(C)(C)C)CN1CCOCC1
InChIInChI=1S/C14H27NO5/c1-5-18-13(16)12(11-19-20-14(2,3)4)10-15-6-8-17-9-7-15/h12H,5-11H2,1-4H3
InChIKeyKFXHIIMYJDKELI-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.24
Rot. Bonds7

About ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate

ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate (PubChem CID 10493664) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate
PubChem CID10493664
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nameethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(COOC(C)(C)C)CN1CCOCC1
InChIInChI=1S/C14H27NO5/c1-5-18-13(16)12(11-19-20-14(2,3)4)10-15-6-8-17-9-7-15/h12H,5-11H2,1-4H3
InChIKeyKFXHIIMYJDKELI-UHFFFAOYSA-N
XLogP1.24
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate (CID 10493664) is ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate is CCOC(=O)C(COOC(C)(C)C)CN1CCOCC1.
What is the InChIKey of ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate?
The InChIKey is KFXHIIMYJDKELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-5-18-13(16)12(11-19-20-14(2,3)4)10-15-6-8-17-9-7-15/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate?
ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate has a molecular weight of 289.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylperoxymethyl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 10493664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).