3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine

C28H51NO — CID 142221657

IUPAC3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine
SMILESCCC(C)(CCCC(C)CCCC(C)CCCC(C)C)Oc1nc(C)cc(C)c1C
InChIInChI=1S/C28H51NO/c1-10-28(9,30-27-26(8)24(6)20-25(7)29-27)19-13-18-23(5)17-12-16-22(4)15-11-14-21(2)3/h20-23H,10-19H2,1-9H3
InChIKeyZDTLVUQMCPDERF-UHFFFAOYSA-N
MW417.72 g/mol
LogP8.99
Rot. Bonds15

About 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine

3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine (PubChem CID 142221657) has the molecular formula C28H51NO and a molecular weight of 417.72 g/mol. Its IUPAC name is 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine.

Molecular Properties

Compound Name3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine
PubChem CID142221657
Molecular FormulaC28H51NO
Molecular Weight417.72 g/mol
Exact Mass417.40
IUPAC Name3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine
SMILESCCC(C)(CCCC(C)CCCC(C)CCCC(C)C)Oc1nc(C)cc(C)c1C
InChIInChI=1S/C28H51NO/c1-10-28(9,30-27-26(8)24(6)20-25(7)29-27)19-13-18-23(5)17-12-16-22(4)15-11-14-21(2)3/h20-23H,10-19H2,1-9H3
InChIKeyZDTLVUQMCPDERF-UHFFFAOYSA-N
XLogP8.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.72
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine?
The IUPAC name of 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine (CID 142221657) is 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine.
What is the SMILES notation for 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine?
The canonical SMILES for 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine is CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)Oc1nc(C)cc(C)c1C.
What is the InChIKey of 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine?
The InChIKey is ZDTLVUQMCPDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51NO/c1-10-28(9,30-27-26(8)24(6)20-25(7)29-27)19-13-18-23(5)17-12-16-22(4)15-11-14-21(2)3/h20-23H,10-19H2,1-9H3.
What are the key properties of 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine?
3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine has a molecular weight of 417.72 g/mol, XLogP of 8.99, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2-(3,7,11,15-tetramethylhexadecan-3-yloxy)pyridine is sourced from PubChem (CID 142221657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).