2,5-bis(6-ethenoxyhexoxy)pyridine

C21H33NO4 — CID 90074551

IUPAC2,5-bis(6-ethenoxyhexoxy)pyridine
SMILESC=COCCCCCCOc1ccc(OCCCCCCOC=C)nc1
InChIInChI=1S/C21H33NO4/c1-3-23-15-9-5-7-11-17-25-20-13-14-21(22-19-20)26-18-12-8-6-10-16-24-4-2/h3-4,13-14,19H,1-2,5-12,15-18H2
InChIKeyYAJABVHRMNGJJL-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.28
Rot. Bonds18

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

2,5-bis(6-ethenoxyhexoxy)pyridine (PubChem CID 90074551) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2,5-bis(6-ethenoxyhexoxy)pyridine.

Molecular Properties

Compound Name2,5-bis(6-ethenoxyhexoxy)pyridine
PubChem CID90074551
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name2,5-bis(6-ethenoxyhexoxy)pyridine
SMILESC=COCCCCCCOc1ccc(OCCCCCCOC=C)nc1
InChIInChI=1S/C21H33NO4/c1-3-23-15-9-5-7-11-17-25-20-13-14-21(22-19-20)26-18-12-8-6-10-16-24-4-2/h3-4,13-14,19H,1-2,5-12,15-18H2
InChIKeyYAJABVHRMNGJJL-UHFFFAOYSA-N
XLogP5.28
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.28
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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Related Compounds

2,6-bis(5-ethenoxypentoxy)pyridine
CID 90074129
6-ethenoxyhexoxybenzene
CID 57094182
2,5-bis(prop-2-enoxy)pyridine
CID 18761916
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine
CID 59498887
(5-hept-6-enoxy-2-pyridinyl)methanamine
CID 107006235
4-[5-[(5-isocyano-2-pyridinyl)oxy]pentoxy]benzonitrile
CID 164761992
5-pent-4-enoxypyridine-2-carbaldehyde
CID 79794228
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(6-ethenoxyhexoxy)pyridine?
The IUPAC name of 2,5-bis(6-ethenoxyhexoxy)pyridine (CID 90074551) is 2,5-bis(6-ethenoxyhexoxy)pyridine.
What is the SMILES notation for 2,5-bis(6-ethenoxyhexoxy)pyridine?
The canonical SMILES for 2,5-bis(6-ethenoxyhexoxy)pyridine is C=COCCCCCCOc1ccc(OCCCCCCOC=C)nc1.
What is the InChIKey of 2,5-bis(6-ethenoxyhexoxy)pyridine?
The InChIKey is YAJABVHRMNGJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-3-23-15-9-5-7-11-17-25-20-13-14-21(22-19-20)26-18-12-8-6-10-16-24-4-2/h3-4,13-14,19H,1-2,5-12,15-18H2.
What are the key properties of 2,5-bis(6-ethenoxyhexoxy)pyridine?
2,5-bis(6-ethenoxyhexoxy)pyridine has a molecular weight of 363.50 g/mol, XLogP of 5.28, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(6-ethenoxyhexoxy)pyridine is sourced from PubChem (CID 90074551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).