1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane

C7H15NO4 — CID 147944227

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane
SMILESCOCCOCCOCCN=O
InChIInChI=1S/C7H15NO4/c1-10-4-5-12-7-6-11-3-2-8-9/h2-7H2,1H3
InChIKeyIMIRFMAIMHSMGN-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.43
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane

1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane (PubChem CID 147944227) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane
PubChem CID147944227
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane
SMILESCOCCOCCOCCN=O
InChIInChI=1S/C7H15NO4/c1-10-4-5-12-7-6-11-3-2-8-9/h2-7H2,1H3
InChIKeyIMIRFMAIMHSMGN-UHFFFAOYSA-N
XLogP0.43
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane (CID 147944227) is 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane is COCCOCCOCCN=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane?
The InChIKey is IMIRFMAIMHSMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-10-4-5-12-7-6-11-3-2-8-9/h2-7H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane?
1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane has a molecular weight of 177.20 g/mol, XLogP of 0.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-2-nitrosoethane is sourced from PubChem (CID 147944227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).