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

C23H37NO10 — CID 86709892

IUPAC2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESO=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C23H37NO10/c25-24(26)21-4-6-22(7-5-21)32-19-17-30-15-13-28-11-9-27-10-12-29-14-16-31-18-20-34-23-3-1-2-8-33-23/h4-7,23H,1-3,8-20H2
InChIKeyKVSNMCGOOGOIAS-UHFFFAOYSA-N
MW487.55 g/mol
LogP2.60
Rot. Bonds21

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

2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane (PubChem CID 86709892) has the molecular formula C23H37NO10 and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
PubChem CID86709892
Molecular FormulaC23H37NO10
Molecular Weight487.55 g/mol
Exact Mass487.24
IUPAC Name2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESO=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C23H37NO10/c25-24(26)21-4-6-22(7-5-21)32-19-17-30-15-13-28-11-9-27-10-12-29-14-16-31-18-20-34-23-3-1-2-8-33-23/h4-7,23H,1-3,8-20H2
InChIKeyKVSNMCGOOGOIAS-UHFFFAOYSA-N
XLogP2.60
TPSA116.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane (CID 86709892) is 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane is O=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The InChIKey is KVSNMCGOOGOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO10/c25-24(26)21-4-6-22(7-5-21)32-19-17-30-15-13-28-11-9-27-10-12-29-14-16-31-18-20-34-23-3-1-2-8-33-23/h4-7,23H,1-3,8-20H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane has a molecular weight of 487.55 g/mol, XLogP of 2.60, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane is sourced from PubChem (CID 86709892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).