2,4-bis(2-ethenoxypentoxy)pyridine

C19H29NO4 — CID 90074107

IUPAC2,4-bis(2-ethenoxypentoxy)pyridine
SMILESC=COC(CCC)COc1ccnc(OCC(CCC)OC=C)c1
InChIInChI=1S/C19H29NO4/c1-5-9-17(21-7-3)14-23-16-11-12-20-19(13-16)24-15-18(10-6-2)22-8-4/h7-8,11-13,17-18H,3-6,9-10,14-15H2,1-2H3
InChIKeyBBOHDMWQDNDAPY-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.50
Rot. Bonds14

About 2,4-bis(2-ethenoxypentoxy)pyridine

2,4-bis(2-ethenoxypentoxy)pyridine (PubChem CID 90074107) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2,4-bis(2-ethenoxypentoxy)pyridine.

Molecular Properties

Compound Name2,4-bis(2-ethenoxypentoxy)pyridine
PubChem CID90074107
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2,4-bis(2-ethenoxypentoxy)pyridine
SMILESC=COC(CCC)COc1ccnc(OCC(CCC)OC=C)c1
InChIInChI=1S/C19H29NO4/c1-5-9-17(21-7-3)14-23-16-11-12-20-19(13-16)24-15-18(10-6-2)22-8-4/h7-8,11-13,17-18H,3-6,9-10,14-15H2,1-2H3
InChIKeyBBOHDMWQDNDAPY-UHFFFAOYSA-N
XLogP4.50
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-ethenoxypentoxy)pyridine?
The IUPAC name of 2,4-bis(2-ethenoxypentoxy)pyridine (CID 90074107) is 2,4-bis(2-ethenoxypentoxy)pyridine.
What is the SMILES notation for 2,4-bis(2-ethenoxypentoxy)pyridine?
The canonical SMILES for 2,4-bis(2-ethenoxypentoxy)pyridine is C=COC(CCC)COc1ccnc(OCC(CCC)OC=C)c1.
What is the InChIKey of 2,4-bis(2-ethenoxypentoxy)pyridine?
The InChIKey is BBOHDMWQDNDAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-9-17(21-7-3)14-23-16-11-12-20-19(13-16)24-15-18(10-6-2)22-8-4/h7-8,11-13,17-18H,3-6,9-10,14-15H2,1-2H3.
What are the key properties of 2,4-bis(2-ethenoxypentoxy)pyridine?
2,4-bis(2-ethenoxypentoxy)pyridine has a molecular weight of 335.44 g/mol, XLogP of 4.50, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-ethenoxypentoxy)pyridine is sourced from PubChem (CID 90074107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).