3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine

C24H35NO2 — CID 150339943

IUPAC3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine
SMILESCCc1cc(CC)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(CC)c1
InChIInChI=1S/C24H35NO2/c1-8-18-14-19(9-2)23(20(10-3)15-18)27-24-17(7)22(13-16(6)25-24)26-21(11-4)12-5/h13-15,21H,8-12H2,1-7H3
InChIKeyGRMNBEDWYDKXCT-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.75
Rot. Bonds9

About 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine

3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine (PubChem CID 150339943) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine.

Molecular Properties

Compound Name3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine
PubChem CID150339943
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine
SMILESCCc1cc(CC)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(CC)c1
InChIInChI=1S/C24H35NO2/c1-8-18-14-19(9-2)23(20(10-3)15-18)27-24-17(7)22(13-16(6)25-24)26-21(11-4)12-5/h13-15,21H,8-12H2,1-7H3
InChIKeyGRMNBEDWYDKXCT-UHFFFAOYSA-N
XLogP6.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine?
The IUPAC name of 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine (CID 150339943) is 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine.
What is the SMILES notation for 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine?
The canonical SMILES for 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine is CCc1cc(CC)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(CC)c1.
What is the InChIKey of 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine?
The InChIKey is GRMNBEDWYDKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-8-18-14-19(9-2)23(20(10-3)15-18)27-24-17(7)22(13-16(6)25-24)26-21(11-4)12-5/h13-15,21H,8-12H2,1-7H3.
What are the key properties of 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine?
3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine has a molecular weight of 369.55 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-triethylphenoxy)pyridine is sourced from PubChem (CID 150339943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).