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

C11H23NO6 — CID 175696589

IUPAC1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOCC[N+](=O)[O-]
InChIInChI=1S/C11H23NO6/c1-2-4-15-6-8-17-10-11-18-9-7-16-5-3-12(13)14/h2-11H2,1H3
InChIKeySGPQWCMWPCJCCF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.74
Rot. Bonds14

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

1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane (PubChem CID 175696589) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane
PubChem CID175696589
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOCC[N+](=O)[O-]
InChIInChI=1S/C11H23NO6/c1-2-4-15-6-8-17-10-11-18-9-7-16-5-3-12(13)14/h2-11H2,1H3
InChIKeySGPQWCMWPCJCCF-UHFFFAOYSA-N
XLogP0.74
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane?
The IUPAC name of 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane (CID 175696589) is 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane.
What is the SMILES notation for 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane?
The canonical SMILES for 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane is CCCOCCOCCOCCOCC[N+](=O)[O-].
What is the InChIKey of 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane?
The InChIKey is SGPQWCMWPCJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6/c1-2-4-15-6-8-17-10-11-18-9-7-16-5-3-12(13)14/h2-11H2,1H3.
What are the key properties of 1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane?
1-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]propane has a molecular weight of 265.31 g/mol, XLogP of 0.74, 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-nitroethoxy)ethoxy]ethoxy]ethoxy]propane is sourced from PubChem (CID 175696589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).