4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine

C13H27NO3 — CID 63618876

IUPAC4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine
SMILESCCOC(CN1CC(C)OC(C)(C)C1)OCC
InChIInChI=1S/C13H27NO3/c1-6-15-12(16-7-2)9-14-8-11(3)17-13(4,5)10-14/h11-12H,6-10H2,1-5H3
InChIKeyBJBSITXOBQQJHO-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.88
Rot. Bonds6

About 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine

4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine (PubChem CID 63618876) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine
PubChem CID63618876
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine
SMILESCCOC(CN1CC(C)OC(C)(C)C1)OCC
InChIInChI=1S/C13H27NO3/c1-6-15-12(16-7-2)9-14-8-11(3)17-13(4,5)10-14/h11-12H,6-10H2,1-5H3
InChIKeyBJBSITXOBQQJHO-UHFFFAOYSA-N
XLogP1.88
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine (CID 63618876) is 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine is CCOC(CN1CC(C)OC(C)(C)C1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine?
The InChIKey is BJBSITXOBQQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-15-12(16-7-2)9-14-8-11(3)17-13(4,5)10-14/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine?
4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine has a molecular weight of 245.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 63618876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).