4-methyl-2,6-dioctylpyridine

C22H39N — CID 66935754

IUPAC4-methyl-2,6-dioctylpyridine
SMILESCCCCCCCCc1cc(C)cc(CCCCCCCC)n1
InChIInChI=1S/C22H39N/c1-4-6-8-10-12-14-16-21-18-20(3)19-22(23-21)17-15-13-11-9-7-5-2/h18-19H,4-17H2,1-3H3
InChIKeyRZQQJIYQVZAOBP-UHFFFAOYSA-N
MW317.56 g/mol
LogP7.20
Rot. Bonds14

About 4-methyl-2,6-dioctylpyridine

4-methyl-2,6-dioctylpyridine (PubChem CID 66935754) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 4-methyl-2,6-dioctylpyridine.

Molecular Properties

Compound Name4-methyl-2,6-dioctylpyridine
PubChem CID66935754
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name4-methyl-2,6-dioctylpyridine
SMILESCCCCCCCCc1cc(C)cc(CCCCCCCC)n1
InChIInChI=1S/C22H39N/c1-4-6-8-10-12-14-16-21-18-20(3)19-22(23-21)17-15-13-11-9-7-5-2/h18-19H,4-17H2,1-3H3
InChIKeyRZQQJIYQVZAOBP-UHFFFAOYSA-N
XLogP7.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4-methyl-2,6-dipropylpyridine
CID 13400495
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2,6-diheptyl-4-propylpyridine
CID 91426264
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2,6-didodecylpyridine
CID 90943274
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2,6-dipentylpyridine
CID 58097448
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-dioctylpyridine?
The IUPAC name of 4-methyl-2,6-dioctylpyridine (CID 66935754) is 4-methyl-2,6-dioctylpyridine.
What is the SMILES notation for 4-methyl-2,6-dioctylpyridine?
The canonical SMILES for 4-methyl-2,6-dioctylpyridine is CCCCCCCCc1cc(C)cc(CCCCCCCC)n1.
What is the InChIKey of 4-methyl-2,6-dioctylpyridine?
The InChIKey is RZQQJIYQVZAOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-4-6-8-10-12-14-16-21-18-20(3)19-22(23-21)17-15-13-11-9-7-5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of 4-methyl-2,6-dioctylpyridine?
4-methyl-2,6-dioctylpyridine has a molecular weight of 317.56 g/mol, XLogP of 7.20, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-dioctylpyridine is sourced from PubChem (CID 66935754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).