2-(4-cyclododecyloxyphenyl)-5-decylpyridine

C33H51NO — CID 67763246

IUPAC2-(4-cyclododecyloxyphenyl)-5-decylpyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OC3CCCCCCCCCCC3)cc2)nc1
InChIInChI=1S/C33H51NO/c1-2-3-4-5-6-10-13-16-19-29-22-27-33(34-28-29)30-23-25-32(26-24-30)35-31-20-17-14-11-8-7-9-12-15-18-21-31/h22-28,31H,2-21H2,1H3
InChIKeyKEMCISDGFRGVRB-UHFFFAOYSA-N
MW477.78 g/mol
LogP10.48
Rot. Bonds12

About 2-(4-cyclododecyloxyphenyl)-5-decylpyridine

2-(4-cyclododecyloxyphenyl)-5-decylpyridine (PubChem CID 67763246) has the molecular formula C33H51NO and a molecular weight of 477.78 g/mol. Its IUPAC name is 2-(4-cyclododecyloxyphenyl)-5-decylpyridine.

Molecular Properties

Compound Name2-(4-cyclododecyloxyphenyl)-5-decylpyridine
PubChem CID67763246
Molecular FormulaC33H51NO
Molecular Weight477.78 g/mol
Exact Mass477.40
IUPAC Name2-(4-cyclododecyloxyphenyl)-5-decylpyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OC3CCCCCCCCCCC3)cc2)nc1
InChIInChI=1S/C33H51NO/c1-2-3-4-5-6-10-13-16-19-29-22-27-33(34-28-29)30-23-25-32(26-24-30)35-31-20-17-14-11-8-7-9-12-15-18-21-31/h22-28,31H,2-21H2,1H3
InChIKeyKEMCISDGFRGVRB-UHFFFAOYSA-N
XLogP10.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
CID 57192381
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclododecyloxyphenyl)-5-decylpyridine?
The IUPAC name of 2-(4-cyclododecyloxyphenyl)-5-decylpyridine (CID 67763246) is 2-(4-cyclododecyloxyphenyl)-5-decylpyridine.
What is the SMILES notation for 2-(4-cyclododecyloxyphenyl)-5-decylpyridine?
The canonical SMILES for 2-(4-cyclododecyloxyphenyl)-5-decylpyridine is CCCCCCCCCCc1ccc(-c2ccc(OC3CCCCCCCCCCC3)cc2)nc1.
What is the InChIKey of 2-(4-cyclododecyloxyphenyl)-5-decylpyridine?
The InChIKey is KEMCISDGFRGVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51NO/c1-2-3-4-5-6-10-13-16-19-29-22-27-33(34-28-29)30-23-25-32(26-24-30)35-31-20-17-14-11-8-7-9-12-15-18-21-31/h22-28,31H,2-21H2,1H3.
What are the key properties of 2-(4-cyclododecyloxyphenyl)-5-decylpyridine?
2-(4-cyclododecyloxyphenyl)-5-decylpyridine has a molecular weight of 477.78 g/mol, XLogP of 10.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclododecyloxyphenyl)-5-decylpyridine is sourced from PubChem (CID 67763246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).