5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane

C38H76N2O3 — CID 160595136

IUPAC5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane
SMILESC.C.C.C.CC(C)(C)C1CCOCC1.CC(C)(C)c1cccnc1.CCOC(C)(C)C.COc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C10H15NO.C9H13N.C9H18O.C6H14O.4CH4/c1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-5-7-6(2,3)4;;;;/h5-7H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5H2,1-4H3;4*1H4
InChIKeyRDNJNIKXVGPDPU-UHFFFAOYSA-N
MW609.04 g/mol
LogP11.59
Rot. Bonds2

About 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane

5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane (PubChem CID 160595136) has the molecular formula C38H76N2O3 and a molecular weight of 609.04 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane.

Molecular Properties

Compound Name5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane
PubChem CID160595136
Molecular FormulaC38H76N2O3
Molecular Weight609.04 g/mol
Exact Mass608.59
IUPAC Name5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane
SMILESC.C.C.C.CC(C)(C)C1CCOCC1.CC(C)(C)c1cccnc1.CCOC(C)(C)C.COc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C10H15NO.C9H13N.C9H18O.C6H14O.4CH4/c1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-5-7-6(2,3)4;;;;/h5-7H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5H2,1-4H3;4*1H4
InChIKeyRDNJNIKXVGPDPU-UHFFFAOYSA-N
XLogP11.59
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.04
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diethoxy-2-pyridin-3-ylethanamine
CID 10987537
2-tert-butyl-5-methoxypyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;ethane;methane
CID 160529531
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323
3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
CID 158198593
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
(6-methoxy-3-pyridinyl)-diphenylmethanol
CID 141319613
ethane;2-methoxypyridine;3-methoxypyridine
CID 142284614
3-(2-cyclohexylpropan-2-yl)pyridine
CID 91076672
N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
CID 75418464
3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
CID 75433635

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane?
The IUPAC name of 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane (CID 160595136) is 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane.
What is the SMILES notation for 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane?
The canonical SMILES for 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane is C.C.C.C.CC(C)(C)C1CCOCC1.CC(C)(C)c1cccnc1.CCOC(C)(C)C.COc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane?
The InChIKey is RDNJNIKXVGPDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C9H13N.C9H18O.C6H14O.4CH4/c1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-5-7-6(2,3)4;;;;/h5-7H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5H2,1-4H3;4*1H4.
What are the key properties of 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane?
5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane has a molecular weight of 609.04 g/mol, XLogP of 11.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxypyridine;4-tert-butyloxane;3-tert-butylpyridine;2-ethoxy-2-methylpropane;methane is sourced from PubChem (CID 160595136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).