2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene

C26H43NO — CID 159396426

IUPAC2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene
SMILESC.CC.CC.Cc1ccc(C)o1.Cc1cccc(C)c1.Cc1cccc(C)n1
InChIInChI=1S/C8H10.C7H9N.C6H8O.2C2H6.CH4/c1-7-4-3-5-8(2)6-7;1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;2*1-2;/h3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2*1-2H3;1H4
InChIKeyLMTVQMVUFUBJNU-UHFFFAOYSA-N
MW385.64 g/mol
LogP8.59
Rot. Bonds

About 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene

2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene (PubChem CID 159396426) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene.

Molecular Properties

Compound Name2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene
PubChem CID159396426
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC Name2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene
SMILESC.CC.CC.Cc1ccc(C)o1.Cc1cccc(C)c1.Cc1cccc(C)n1
InChIInChI=1S/C8H10.C7H9N.C6H8O.2C2H6.CH4/c1-7-4-3-5-8(2)6-7;1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;2*1-2;/h3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2*1-2H3;1H4
InChIKeyLMTVQMVUFUBJNU-UHFFFAOYSA-N
XLogP8.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-dimethylpyridine;ethane
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ethane;methane;1,3-xylene
CID 145463381
ethane;1,3-xylene
CID 54570178
2,6-dimethylpyridine;sulfane
CID 134564621
methane;1,3-xylene;1,4-xylene
CID 161051420
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;propane;1,3-xylene
CID 144528046

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene?
The IUPAC name of 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene (CID 159396426) is 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene.
What is the SMILES notation for 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene?
The canonical SMILES for 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene is C.CC.CC.Cc1ccc(C)o1.Cc1cccc(C)c1.Cc1cccc(C)n1.
What is the InChIKey of 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene?
The InChIKey is LMTVQMVUFUBJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H9N.C6H8O.2C2H6.CH4/c1-7-4-3-5-8(2)6-7;1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;2*1-2;/h3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2*1-2H3;1H4.
What are the key properties of 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene?
2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene has a molecular weight of 385.64 g/mol, XLogP of 8.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene is sourced from PubChem (CID 159396426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).