2-methyl-5-propylfuran

C8H12O — CID 5191689

IUPAC2-methyl-5-propylfuran
SMILESCCCc1ccc(C)o1
InChIInChI=1S/C8H12O/c1-3-4-8-6-5-7(2)9-8/h5-6H,3-4H2,1-2H3
InChIKeyXPYQVFYTBQVKIS-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.54
Rot. Bonds2

About 2-methyl-5-propylfuran

2-methyl-5-propylfuran (PubChem CID 5191689) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-methyl-5-propylfuran.

Molecular Properties

Compound Name2-methyl-5-propylfuran
PubChem CID5191689
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-methyl-5-propylfuran
SMILESCCCc1ccc(C)o1
InChIInChI=1S/C8H12O/c1-3-4-8-6-5-7(2)9-8/h5-6H,3-4H2,1-2H3
InChIKeyXPYQVFYTBQVKIS-UHFFFAOYSA-N
XLogP2.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propylfuran?
The IUPAC name of 2-methyl-5-propylfuran (CID 5191689) is 2-methyl-5-propylfuran.
What is the SMILES notation for 2-methyl-5-propylfuran?
The canonical SMILES for 2-methyl-5-propylfuran is CCCc1ccc(C)o1.
What is the InChIKey of 2-methyl-5-propylfuran?
The InChIKey is XPYQVFYTBQVKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-4-8-6-5-7(2)9-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-propylfuran?
2-methyl-5-propylfuran has a molecular weight of 124.18 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propylfuran is sourced from PubChem (CID 5191689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).