3-butyl-4-methyl-2H-furan-5-one

C9H14O2 — CID 14341178

IUPAC3-butyl-4-methyl-2H-furan-5-one
SMILESCCCCC1=C(C)C(=O)OC1
InChIInChI=1S/C9H14O2/c1-3-4-5-8-6-11-9(10)7(8)2/h3-6H2,1-2H3
InChIKeyHJSIOLBVYYOCRF-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About 3-butyl-4-methyl-2H-furan-5-one

3-butyl-4-methyl-2H-furan-5-one (PubChem CID 14341178) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-butyl-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-butyl-4-methyl-2H-furan-5-one
PubChem CID14341178
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-butyl-4-methyl-2H-furan-5-one
SMILESCCCCC1=C(C)C(=O)OC1
InChIInChI=1S/C9H14O2/c1-3-4-5-8-6-11-9(10)7(8)2/h3-6H2,1-2H3
InChIKeyHJSIOLBVYYOCRF-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-2H-furan-5-one?
The IUPAC name of 3-butyl-4-methyl-2H-furan-5-one (CID 14341178) is 3-butyl-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-butyl-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-butyl-4-methyl-2H-furan-5-one is CCCCC1=C(C)C(=O)OC1.
What is the InChIKey of 3-butyl-4-methyl-2H-furan-5-one?
The InChIKey is HJSIOLBVYYOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-8-6-11-9(10)7(8)2/h3-6H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-2H-furan-5-one?
3-butyl-4-methyl-2H-furan-5-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-2H-furan-5-one is sourced from PubChem (CID 14341178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).