1-(4,5-dimethylfuran-2-yl)ethanone

C8H10O2 — CID 14616895

IUPAC1-(4,5-dimethylfuran-2-yl)ethanone
SMILESCC(=O)c1cc(C)c(C)o1
InChIInChI=1S/C8H10O2/c1-5-4-8(6(2)9)10-7(5)3/h4H,1-3H3
InChIKeyKQGQDZWQYUQIAA-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.10
Rot. Bonds1

About 1-(4,5-dimethylfuran-2-yl)ethanone

1-(4,5-dimethylfuran-2-yl)ethanone (PubChem CID 14616895) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)ethanone
PubChem CID14616895
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(4,5-dimethylfuran-2-yl)ethanone
SMILESCC(=O)c1cc(C)c(C)o1
InChIInChI=1S/C8H10O2/c1-5-4-8(6(2)9)10-7(5)3/h4H,1-3H3
InChIKeyKQGQDZWQYUQIAA-UHFFFAOYSA-N
XLogP2.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)ethanone?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)ethanone (CID 14616895) is 1-(4,5-dimethylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)ethanone?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)ethanone is CC(=O)c1cc(C)c(C)o1.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)ethanone?
The InChIKey is KQGQDZWQYUQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-4-8(6(2)9)10-7(5)3/h4H,1-3H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)ethanone?
1-(4,5-dimethylfuran-2-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)ethanone is sourced from PubChem (CID 14616895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).