1-(5-butan-2-yloxyfuran-2-yl)ethanone

C10H14O3 — CID 175527860

IUPAC1-(5-butan-2-yloxyfuran-2-yl)ethanone
SMILESCCC(C)Oc1ccc(C(C)=O)o1
InChIInChI=1S/C10H14O3/c1-4-7(2)12-10-6-5-9(13-10)8(3)11/h5-7H,4H2,1-3H3
InChIKeyDBISZBCSPGSIJB-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.66
Rot. Bonds4

About 1-(5-butan-2-yloxyfuran-2-yl)ethanone

1-(5-butan-2-yloxyfuran-2-yl)ethanone (PubChem CID 175527860) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(5-butan-2-yloxyfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-butan-2-yloxyfuran-2-yl)ethanone
PubChem CID175527860
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(5-butan-2-yloxyfuran-2-yl)ethanone
SMILESCCC(C)Oc1ccc(C(C)=O)o1
InChIInChI=1S/C10H14O3/c1-4-7(2)12-10-6-5-9(13-10)8(3)11/h5-7H,4H2,1-3H3
InChIKeyDBISZBCSPGSIJB-UHFFFAOYSA-N
XLogP2.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-butan-2-yloxyfuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yloxyfuran-2-yl)ethanone?
The IUPAC name of 1-(5-butan-2-yloxyfuran-2-yl)ethanone (CID 175527860) is 1-(5-butan-2-yloxyfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-butan-2-yloxyfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-butan-2-yloxyfuran-2-yl)ethanone is CCC(C)Oc1ccc(C(C)=O)o1.
What is the InChIKey of 1-(5-butan-2-yloxyfuran-2-yl)ethanone?
The InChIKey is DBISZBCSPGSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-7(2)12-10-6-5-9(13-10)8(3)11/h5-7H,4H2,1-3H3.
What are the key properties of 1-(5-butan-2-yloxyfuran-2-yl)ethanone?
1-(5-butan-2-yloxyfuran-2-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yloxyfuran-2-yl)ethanone is sourced from PubChem (CID 175527860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).