5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine

C24H33NO2 — CID 59498887

IUPAC5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine
SMILESC=CCCCCc1ccc(OCCCCCCOc2ccc(C)cc2)nc1
InChIInChI=1S/C24H33NO2/c1-3-4-5-8-11-22-14-17-24(25-20-22)27-19-10-7-6-9-18-26-23-15-12-21(2)13-16-23/h3,12-17,20H,1,4-11,18-19H2,2H3
InChIKeyWRRJZGDHPNLKIF-UHFFFAOYSA-N
MW367.53 g/mol
LogP6.31
Rot. Bonds14

About 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine

5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine (PubChem CID 59498887) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine.

Molecular Properties

Compound Name5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine
PubChem CID59498887
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine
SMILESC=CCCCCc1ccc(OCCCCCCOc2ccc(C)cc2)nc1
InChIInChI=1S/C24H33NO2/c1-3-4-5-8-11-22-14-17-24(25-20-22)27-19-10-7-6-9-18-26-23-15-12-21(2)13-16-23/h3,12-17,20H,1,4-11,18-19H2,2H3
InChIKeyWRRJZGDHPNLKIF-UHFFFAOYSA-N
XLogP6.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 139447523
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1-hex-5-enyl-4-(4-methylphenyl)benzene
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5-[4-(6-methyloctyl)phenyl]-2-(4-non-8-enoxyphenyl)pyrimidine
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2-(4-dec-9-enoxyphenyl)-5-[4-(4-methylhexyl)phenyl]pyrimidine
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5-non-8-enoxy-2-[4-(5-propoxypentyl)phenyl]pyrimidine
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5-dodec-11-enoxy-2-[4-(5-propoxypentyl)phenyl]pyrimidine
CID 19017254
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
[4-(5-octylpyrimidin-2-yl)phenyl] 4-hex-5-enoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine?
The IUPAC name of 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine (CID 59498887) is 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine.
What is the SMILES notation for 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine?
The canonical SMILES for 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine is C=CCCCCc1ccc(OCCCCCCOc2ccc(C)cc2)nc1.
What is the InChIKey of 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine?
The InChIKey is WRRJZGDHPNLKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-3-4-5-8-11-22-14-17-24(25-20-22)27-19-10-7-6-9-18-26-23-15-12-21(2)13-16-23/h3,12-17,20H,1,4-11,18-19H2,2H3.
What are the key properties of 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine?
5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine has a molecular weight of 367.53 g/mol, XLogP of 6.31, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine is sourced from PubChem (CID 59498887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).