2,6-bis(5-ethenoxypentoxy)pyridine

C19H29NO4 — CID 90074129

IUPAC2,6-bis(5-ethenoxypentoxy)pyridine
SMILESC=COCCCCCOc1cccc(OCCCCCOC=C)n1
InChIInChI=1S/C19H29NO4/c1-3-21-14-7-5-9-16-23-18-12-11-13-19(20-18)24-17-10-6-8-15-22-4-2/h3-4,11-13H,1-2,5-10,14-17H2
InChIKeyIDILQWOFFSRRML-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.50
Rot. Bonds16

About 2,6-bis(5-ethenoxypentoxy)pyridine

2,6-bis(5-ethenoxypentoxy)pyridine (PubChem CID 90074129) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2,6-bis(5-ethenoxypentoxy)pyridine.

Molecular Properties

Compound Name2,6-bis(5-ethenoxypentoxy)pyridine
PubChem CID90074129
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2,6-bis(5-ethenoxypentoxy)pyridine
SMILESC=COCCCCCOc1cccc(OCCCCCOC=C)n1
InChIInChI=1S/C19H29NO4/c1-3-21-14-7-5-9-16-23-18-12-11-13-19(20-18)24-17-10-6-8-15-22-4-2/h3-4,11-13H,1-2,5-10,14-17H2
InChIKeyIDILQWOFFSRRML-UHFFFAOYSA-N
XLogP4.50
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-ethenoxypentoxy)pyridine?
The IUPAC name of 2,6-bis(5-ethenoxypentoxy)pyridine (CID 90074129) is 2,6-bis(5-ethenoxypentoxy)pyridine.
What is the SMILES notation for 2,6-bis(5-ethenoxypentoxy)pyridine?
The canonical SMILES for 2,6-bis(5-ethenoxypentoxy)pyridine is C=COCCCCCOc1cccc(OCCCCCOC=C)n1.
What is the InChIKey of 2,6-bis(5-ethenoxypentoxy)pyridine?
The InChIKey is IDILQWOFFSRRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-3-21-14-7-5-9-16-23-18-12-11-13-19(20-18)24-17-10-6-8-15-22-4-2/h3-4,11-13H,1-2,5-10,14-17H2.
What are the key properties of 2,6-bis(5-ethenoxypentoxy)pyridine?
2,6-bis(5-ethenoxypentoxy)pyridine has a molecular weight of 335.44 g/mol, XLogP of 4.50, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-ethenoxypentoxy)pyridine is sourced from PubChem (CID 90074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).