2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine

C34H53NO3 — CID 19821295

IUPAC2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C3OCC(CCCCCCCCC)CO3)cn2)cc1
InChIInChI=1S/C34H53NO3/c1-3-5-7-9-11-13-15-17-25-36-32-22-19-30(20-23-32)33-24-21-31(26-35-33)34-37-27-29(28-38-34)18-16-14-12-10-8-6-4-2/h19-24,26,29,34H,3-18,25,27-28H2,1-2H3
InChIKeyCGYBWFDZXMORDL-UHFFFAOYSA-N
MW523.80 g/mol
LogP10.07
Rot. Bonds20

About 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine

2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine (PubChem CID 19821295) has the molecular formula C34H53NO3 and a molecular weight of 523.80 g/mol. Its IUPAC name is 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine
PubChem CID19821295
Molecular FormulaC34H53NO3
Molecular Weight523.80 g/mol
Exact Mass523.40
IUPAC Name2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C3OCC(CCCCCCCCC)CO3)cn2)cc1
InChIInChI=1S/C34H53NO3/c1-3-5-7-9-11-13-15-17-25-36-32-22-19-30(20-23-32)33-24-21-31(26-35-33)34-37-27-29(28-38-34)18-16-14-12-10-8-6-4-2/h19-24,26,29,34H,3-18,25,27-28H2,1-2H3
InChIKeyCGYBWFDZXMORDL-UHFFFAOYSA-N
XLogP10.07
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.80
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-decoxyphenyl)-5-(5-undec-10-enyl-1,3-dioxan-2-yl)pyridine
CID 19821380
5-(5-decyl-1,3-dioxan-2-yl)-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 19821255
2-(4-butoxyphenyl)-5-heptyl-1,3-dioxane
CID 12924962
5-[2-(5-decyl-1,3-dioxan-2-yl)ethyl]-2-(4-heptoxyphenyl)pyridine
CID 19821352
5-pentyl-2-(4-propoxyphenyl)-1,3-dioxane
CID 12924949
2-[4-[4-[(6S)-6-methyloctoxy]phenyl]phenyl]-5-nonyl-1,3-dioxane
CID 22842982
2-(4-decyl-3-fluorophenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821390
2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821346
2-[4-[4-[(4S)-4-methylhexoxy]phenyl]phenyl]-5-nonyl-1,3-dioxane
CID 67780173
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207

Frequently Asked Questions

What is the IUPAC name of 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine?
The IUPAC name of 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine (CID 19821295) is 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine.
What is the SMILES notation for 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine?
The canonical SMILES for 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine is CCCCCCCCCCOc1ccc(-c2ccc(C3OCC(CCCCCCCCC)CO3)cn2)cc1.
What is the InChIKey of 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine?
The InChIKey is CGYBWFDZXMORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53NO3/c1-3-5-7-9-11-13-15-17-25-36-32-22-19-30(20-23-32)33-24-21-31(26-35-33)34-37-27-29(28-38-34)18-16-14-12-10-8-6-4-2/h19-24,26,29,34H,3-18,25,27-28H2,1-2H3.
What are the key properties of 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine?
2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine has a molecular weight of 523.80 g/mol, XLogP of 10.07, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine is sourced from PubChem (CID 19821295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).