4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one

C11H21NO3 — CID 115067698

IUPAC4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one
SMILESCC1(CCO)CN(C(C)(C)C)C(=O)CO1
InChIInChI=1S/C11H21NO3/c1-10(2,3)12-8-11(4,5-6-13)15-7-9(12)14/h13H,5-8H2,1-4H3
InChIKeyIYOPPXDORJUVFA-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds2

About 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one

4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one (PubChem CID 115067698) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one
PubChem CID115067698
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one
SMILESCC1(CCO)CN(C(C)(C)C)C(=O)CO1
InChIInChI=1S/C11H21NO3/c1-10(2,3)12-8-11(4,5-6-13)15-7-9(12)14/h13H,5-8H2,1-4H3
InChIKeyIYOPPXDORJUVFA-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one?
The IUPAC name of 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one (CID 115067698) is 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one.
What is the SMILES notation for 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one?
The canonical SMILES for 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one is CC1(CCO)CN(C(C)(C)C)C(=O)CO1.
What is the InChIKey of 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one?
The InChIKey is IYOPPXDORJUVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)12-8-11(4,5-6-13)15-7-9(12)14/h13H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one?
4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one has a molecular weight of 215.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one is sourced from PubChem (CID 115067698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).