2,5-dimethylfuran;bis(pentane)

C16H32O — CID 142226685

IUPAC2,5-dimethylfuran;bis(pentane)
SMILESCCCCC.CCCCC.Cc1ccc(C)o1
InChIInChI=1S/C6H8O.2C5H12/c1-5-3-4-6(2)7-5;2*1-3-5-4-2/h3-4H,1-2H3;2*3-5H2,1-2H3
InChIKeyMFUWEZJJMZEYON-UHFFFAOYSA-N
MW240.43 g/mol
LogP6.29
Rot. Bonds4

About 2,5-dimethylfuran;bis(pentane)

2,5-dimethylfuran;bis(pentane) (PubChem CID 142226685) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2,5-dimethylfuran;bis(pentane).

Molecular Properties

Compound Name2,5-dimethylfuran;bis(pentane)
PubChem CID142226685
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2,5-dimethylfuran;bis(pentane)
SMILESCCCCC.CCCCC.Cc1ccc(C)o1
InChIInChI=1S/C6H8O.2C5H12/c1-5-3-4-6(2)7-5;2*1-3-5-4-2/h3-4H,1-2H3;2*3-5H2,1-2H3
InChIKeyMFUWEZJJMZEYON-UHFFFAOYSA-N
XLogP6.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;bis(pentane)?
The IUPAC name of 2,5-dimethylfuran;bis(pentane) (CID 142226685) is 2,5-dimethylfuran;bis(pentane).
What is the SMILES notation for 2,5-dimethylfuran;bis(pentane)?
The canonical SMILES for 2,5-dimethylfuran;bis(pentane) is CCCCC.CCCCC.Cc1ccc(C)o1.
What is the InChIKey of 2,5-dimethylfuran;bis(pentane)?
The InChIKey is MFUWEZJJMZEYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.2C5H12/c1-5-3-4-6(2)7-5;2*1-3-5-4-2/h3-4H,1-2H3;2*3-5H2,1-2H3.
What are the key properties of 2,5-dimethylfuran;bis(pentane)?
2,5-dimethylfuran;bis(pentane) has a molecular weight of 240.43 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;bis(pentane) is sourced from PubChem (CID 142226685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).