4-(tert-butylperoxymethyl)morpholine

C9H19NO3 — CID 10352485

IUPAC4-(tert-butylperoxymethyl)morpholine
SMILESCC(C)(C)OOCN1CCOCC1
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-12-8-10-4-6-11-7-5-10/h4-8H2,1-3H3
InChIKeyRKJIPPZMAIBNPC-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.02
Rot. Bonds3

About 4-(tert-butylperoxymethyl)morpholine

4-(tert-butylperoxymethyl)morpholine (PubChem CID 10352485) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(tert-butylperoxymethyl)morpholine.

Molecular Properties

Compound Name4-(tert-butylperoxymethyl)morpholine
PubChem CID10352485
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-(tert-butylperoxymethyl)morpholine
SMILESCC(C)(C)OOCN1CCOCC1
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-12-8-10-4-6-11-7-5-10/h4-8H2,1-3H3
InChIKeyRKJIPPZMAIBNPC-UHFFFAOYSA-N
XLogP1.02
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(tert-butylperoxymethyl)morpholine?
The IUPAC name of 4-(tert-butylperoxymethyl)morpholine (CID 10352485) is 4-(tert-butylperoxymethyl)morpholine.
What is the SMILES notation for 4-(tert-butylperoxymethyl)morpholine?
The canonical SMILES for 4-(tert-butylperoxymethyl)morpholine is CC(C)(C)OOCN1CCOCC1.
What is the InChIKey of 4-(tert-butylperoxymethyl)morpholine?
The InChIKey is RKJIPPZMAIBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-12-8-10-4-6-11-7-5-10/h4-8H2,1-3H3.
What are the key properties of 4-(tert-butylperoxymethyl)morpholine?
4-(tert-butylperoxymethyl)morpholine has a molecular weight of 189.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylperoxymethyl)morpholine is sourced from PubChem (CID 10352485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).