2-methyl-4-oxo-5-propylfuran-3-olate

C8H11O3- — CID 25201144

IUPAC2-methyl-4-oxo-5-propylfuran-3-olate
SMILESCCCC1OC(C)=C([O-])C1=O
InChIInChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3/p-1
InChIKeyDBYQGTLFSQKPCA-UHFFFAOYSA-M
MW155.17 g/mol
LogP0.35
Rot. Bonds2

About 2-methyl-4-oxo-5-propylfuran-3-olate

2-methyl-4-oxo-5-propylfuran-3-olate (PubChem CID 25201144) has the molecular formula C8H11O3- and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-methyl-4-oxo-5-propylfuran-3-olate.

Molecular Properties

Compound Name2-methyl-4-oxo-5-propylfuran-3-olate
PubChem CID25201144
Molecular FormulaC8H11O3-
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-methyl-4-oxo-5-propylfuran-3-olate
SMILESCCCC1OC(C)=C([O-])C1=O
InChIInChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3/p-1
InChIKeyDBYQGTLFSQKPCA-UHFFFAOYSA-M
XLogP0.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-5-propylfuran-3-olate?
The IUPAC name of 2-methyl-4-oxo-5-propylfuran-3-olate (CID 25201144) is 2-methyl-4-oxo-5-propylfuran-3-olate.
What is the SMILES notation for 2-methyl-4-oxo-5-propylfuran-3-olate?
The canonical SMILES for 2-methyl-4-oxo-5-propylfuran-3-olate is CCCC1OC(C)=C([O-])C1=O.
What is the InChIKey of 2-methyl-4-oxo-5-propylfuran-3-olate?
The InChIKey is DBYQGTLFSQKPCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3/p-1.
What are the key properties of 2-methyl-4-oxo-5-propylfuran-3-olate?
2-methyl-4-oxo-5-propylfuran-3-olate has a molecular weight of 155.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-5-propylfuran-3-olate is sourced from PubChem (CID 25201144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).