2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane

C21H33NO9 — CID 86709888

IUPAC2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESO=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C21H33NO9/c23-22(24)19-4-6-20(7-5-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-31-21-3-1-2-8-30-21/h4-7,21H,1-3,8-18H2
InChIKeyXJYMZIJJNXVMKK-UHFFFAOYSA-N
MW443.49 g/mol
LogP2.58
Rot. Bonds18

About 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane

2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane (PubChem CID 86709888) has the molecular formula C21H33NO9 and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
PubChem CID86709888
Molecular FormulaC21H33NO9
Molecular Weight443.49 g/mol
Exact Mass443.22
IUPAC Name2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESO=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C21H33NO9/c23-22(24)19-4-6-20(7-5-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-31-21-3-1-2-8-30-21/h4-7,21H,1-3,8-18H2
InChIKeyXJYMZIJJNXVMKK-UHFFFAOYSA-N
XLogP2.58
TPSA107.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane (CID 86709888) is 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane is O=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The InChIKey is XJYMZIJJNXVMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO9/c23-22(24)19-4-6-20(7-5-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-31-21-3-1-2-8-30-21/h4-7,21H,1-3,8-18H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane has a molecular weight of 443.49 g/mol, XLogP of 2.58, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane is sourced from PubChem (CID 86709888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).