1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane

C11H23NO5 — CID 123279605

IUPAC1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOCCN=O
InChIInChI=1S/C11H23NO5/c1-2-4-14-6-8-16-10-11-17-9-7-15-5-3-12-13/h2-11H2,1H3
InChIKeyHUKMSTYTBDLCCM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds14

About 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane

1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane (PubChem CID 123279605) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane
PubChem CID123279605
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOCCN=O
InChIInChI=1S/C11H23NO5/c1-2-4-14-6-8-16-10-11-17-9-7-15-5-3-12-13/h2-11H2,1H3
InChIKeyHUKMSTYTBDLCCM-UHFFFAOYSA-N
XLogP1.23
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 118465210
1-Nitroso-2-[2-(2-nitrosoethoxy)ethoxy]ethane
CID 118465213
1-Nitroso-2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethane
CID 130282531
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane?
The IUPAC name of 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane (CID 123279605) is 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane.
What is the SMILES notation for 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane?
The canonical SMILES for 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane is CCCOCCOCCOCCOCCN=O.
What is the InChIKey of 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane?
The InChIKey is HUKMSTYTBDLCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-2-4-14-6-8-16-10-11-17-9-7-15-5-3-12-13/h2-11H2,1H3.
What are the key properties of 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane?
1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane has a molecular weight of 249.31 g/mol, XLogP of 1.23, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane is sourced from PubChem (CID 123279605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).