2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium

C10H21NO5 — CID 174741483

IUPAC2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium
SMILESCCC1(OCCOC)C[N+]([O-])(OC)CCO1
InChIInChI=1S/C10H21NO5/c1-4-10(16-8-7-13-2)9-11(12,14-3)5-6-15-10/h4-9H2,1-3H3
InChIKeyMQSVGPHUKWMOKA-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.66
Rot. Bonds6

About 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium

2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium (PubChem CID 174741483) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium.

Molecular Properties

Compound Name2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium
PubChem CID174741483
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium
SMILESCCC1(OCCOC)C[N+]([O-])(OC)CCO1
InChIInChI=1S/C10H21NO5/c1-4-10(16-8-7-13-2)9-11(12,14-3)5-6-15-10/h4-9H2,1-3H3
InChIKeyMQSVGPHUKWMOKA-UHFFFAOYSA-N
XLogP0.66
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium?
The IUPAC name of 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium (CID 174741483) is 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium.
What is the SMILES notation for 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium?
The canonical SMILES for 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium is CCC1(OCCOC)C[N+]([O-])(OC)CCO1.
What is the InChIKey of 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium?
The InChIKey is MQSVGPHUKWMOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-4-10(16-8-7-13-2)9-11(12,14-3)5-6-15-10/h4-9H2,1-3H3.
What are the key properties of 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium?
2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium has a molecular weight of 235.28 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium is sourced from PubChem (CID 174741483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).