2-(methoxymethoxy)ethyl-oxidoazanium

C4H11NO3 — CID 174746069

IUPAC2-(methoxymethoxy)ethyl-oxidoazanium
SMILESCOCOCC[NH2+][O-]
InChIInChI=1S/C4H11NO3/c1-7-4-8-3-2-5-6/h2-5H2,1H3
InChIKeyKHOFVNPHDYRZOH-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.33
Rot. Bonds5

About 2-(methoxymethoxy)ethyl-oxidoazanium

2-(methoxymethoxy)ethyl-oxidoazanium (PubChem CID 174746069) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(methoxymethoxy)ethyl-oxidoazanium.

Molecular Properties

Compound Name2-(methoxymethoxy)ethyl-oxidoazanium
PubChem CID174746069
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name2-(methoxymethoxy)ethyl-oxidoazanium
SMILESCOCOCC[NH2+][O-]
InChIInChI=1S/C4H11NO3/c1-7-4-8-3-2-5-6/h2-5H2,1H3
InChIKeyKHOFVNPHDYRZOH-UHFFFAOYSA-N
XLogP-1.33
TPSA58.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methoxymethoxy)ethyl-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)ethyl-oxidoazanium?
The IUPAC name of 2-(methoxymethoxy)ethyl-oxidoazanium (CID 174746069) is 2-(methoxymethoxy)ethyl-oxidoazanium.
What is the SMILES notation for 2-(methoxymethoxy)ethyl-oxidoazanium?
The canonical SMILES for 2-(methoxymethoxy)ethyl-oxidoazanium is COCOCC[NH2+][O-].
What is the InChIKey of 2-(methoxymethoxy)ethyl-oxidoazanium?
The InChIKey is KHOFVNPHDYRZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-7-4-8-3-2-5-6/h2-5H2,1H3.
What are the key properties of 2-(methoxymethoxy)ethyl-oxidoazanium?
2-(methoxymethoxy)ethyl-oxidoazanium has a molecular weight of 121.14 g/mol, XLogP of -1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)ethyl-oxidoazanium is sourced from PubChem (CID 174746069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).