2,2-diethoxymorpholine

C8H17NO3 — CID 19959513

IUPAC2,2-diethoxymorpholine
SMILESCCOC1(OCC)CNCCO1
InChIInChI=1S/C8H17NO3/c1-3-10-8(11-4-2)7-9-5-6-12-8/h9H,3-7H2,1-2H3
InChIKeyVJUQNCZANIWGSX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.33
Rot. Bonds4

About 2,2-diethoxymorpholine

2,2-diethoxymorpholine (PubChem CID 19959513) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,2-diethoxymorpholine.

Molecular Properties

Compound Name2,2-diethoxymorpholine
PubChem CID19959513
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2,2-diethoxymorpholine
SMILESCCOC1(OCC)CNCCO1
InChIInChI=1S/C8H17NO3/c1-3-10-8(11-4-2)7-9-5-6-12-8/h9H,3-7H2,1-2H3
InChIKeyVJUQNCZANIWGSX-UHFFFAOYSA-N
XLogP0.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
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 2,2-diethoxymorpholine?
The IUPAC name of 2,2-diethoxymorpholine (CID 19959513) is 2,2-diethoxymorpholine.
What is the SMILES notation for 2,2-diethoxymorpholine?
The canonical SMILES for 2,2-diethoxymorpholine is CCOC1(OCC)CNCCO1.
What is the InChIKey of 2,2-diethoxymorpholine?
The InChIKey is VJUQNCZANIWGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-10-8(11-4-2)7-9-5-6-12-8/h9H,3-7H2,1-2H3.
What are the key properties of 2,2-diethoxymorpholine?
2,2-diethoxymorpholine has a molecular weight of 175.23 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxymorpholine is sourced from PubChem (CID 19959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).