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

C13H27NO7 — CID 175696590

IUPAC1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOCCOCC[N+](=O)[O-]
InChIInChI=1S/C13H27NO7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h2-13H2,1H3
InChIKeyPWAKDUPTGYDADQ-UHFFFAOYSA-N
MW309.36 g/mol
LogP0.76
Rot. Bonds17

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

1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane (PubChem CID 175696590) has the molecular formula C13H27NO7 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane
PubChem CID175696590
Molecular FormulaC13H27NO7
Molecular Weight309.36 g/mol
Exact Mass309.18
IUPAC Name1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOCCOCC[N+](=O)[O-]
InChIInChI=1S/C13H27NO7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h2-13H2,1H3
InChIKeyPWAKDUPTGYDADQ-UHFFFAOYSA-N
XLogP0.76
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane?
The IUPAC name of 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane (CID 175696590) is 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane?
The canonical SMILES for 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane is CCCOCCOCCOCCOCCOCC[N+](=O)[O-].
What is the InChIKey of 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane?
The InChIKey is PWAKDUPTGYDADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h2-13H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane?
1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane has a molecular weight of 309.36 g/mol, XLogP of 0.76, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane is sourced from PubChem (CID 175696590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).