2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine

C15H25NO — CID 130223913

IUPAC2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine
SMILESCC(CC(C)(C)C)Oc1cccc(C(C)C)n1
InChIInChI=1S/C15H25NO/c1-11(2)13-8-7-9-14(16-13)17-12(3)10-15(4,5)6/h7-9,11-12H,10H2,1-6H3
InChIKeyDCCLGUHRAICUPE-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.41
Rot. Bonds4

About 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine

2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine (PubChem CID 130223913) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine
PubChem CID130223913
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine
SMILESCC(CC(C)(C)C)Oc1cccc(C(C)C)n1
InChIInChI=1S/C15H25NO/c1-11(2)13-8-7-9-14(16-13)17-12(3)10-15(4,5)6/h7-9,11-12H,10H2,1-6H3
InChIKeyDCCLGUHRAICUPE-UHFFFAOYSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine?
The IUPAC name of 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine (CID 130223913) is 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine.
What is the SMILES notation for 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine?
The canonical SMILES for 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine is CC(CC(C)(C)C)Oc1cccc(C(C)C)n1.
What is the InChIKey of 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine?
The InChIKey is DCCLGUHRAICUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)13-8-7-9-14(16-13)17-12(3)10-15(4,5)6/h7-9,11-12H,10H2,1-6H3.
What are the key properties of 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine?
2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine has a molecular weight of 235.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine is sourced from PubChem (CID 130223913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).