butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine

C24H45NO2 — CID 176665102

IUPACbutane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine
SMILESCCCC.CCCC.CCc1ccc(OC2CC(C)(C)OC(C)(C)C2)nc1
InChIInChI=1S/C16H25NO2.2C4H10/c1-6-12-7-8-14(17-11-12)18-13-9-15(2,3)19-16(4,5)10-13;2*1-3-4-2/h7-8,11,13H,6,9-10H2,1-5H3;2*3-4H2,1-2H3
InChIKeyHJOZGFMMHMPJNW-UHFFFAOYSA-N
MW379.63 g/mol
LogP7.37
Rot. Bonds5

About butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine

butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine (PubChem CID 176665102) has the molecular formula C24H45NO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine.

Molecular Properties

Compound Namebutane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine
PubChem CID176665102
Molecular FormulaC24H45NO2
Molecular Weight379.63 g/mol
Exact Mass379.35
IUPAC Namebutane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine
SMILESCCCC.CCCC.CCc1ccc(OC2CC(C)(C)OC(C)(C)C2)nc1
InChIInChI=1S/C16H25NO2.2C4H10/c1-6-12-7-8-14(17-11-12)18-13-9-15(2,3)19-16(4,5)10-13;2*1-3-4-2/h7-8,11,13H,6,9-10H2,1-5H3;2*3-4H2,1-2H3
InChIKeyHJOZGFMMHMPJNW-UHFFFAOYSA-N
XLogP7.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine?
The IUPAC name of butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine (CID 176665102) is butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine.
What is the SMILES notation for butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine?
The canonical SMILES for butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine is CCCC.CCCC.CCc1ccc(OC2CC(C)(C)OC(C)(C)C2)nc1.
What is the InChIKey of butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine?
The InChIKey is HJOZGFMMHMPJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.2C4H10/c1-6-12-7-8-14(17-11-12)18-13-9-15(2,3)19-16(4,5)10-13;2*1-3-4-2/h7-8,11,13H,6,9-10H2,1-5H3;2*3-4H2,1-2H3.
What are the key properties of butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine?
butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine has a molecular weight of 379.63 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5-ethyl-2-(2,2,6,6-tetramethyloxan-4-yl)oxypyridine is sourced from PubChem (CID 176665102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).