1-(3,5-dimethylfuran-2-yl)ethanone

C8H10O2 — CID 579675

IUPAC1-(3,5-dimethylfuran-2-yl)ethanone
SMILESCC(=O)c1oc(C)cc1C
InChIInChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
InChIKeySQWQZVDNBPEROH-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.10
Rot. Bonds1

About 1-(3,5-dimethylfuran-2-yl)ethanone

1-(3,5-dimethylfuran-2-yl)ethanone (PubChem CID 579675) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(3,5-dimethylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylfuran-2-yl)ethanone
PubChem CID579675
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(3,5-dimethylfuran-2-yl)ethanone
SMILESCC(=O)c1oc(C)cc1C
InChIInChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
InChIKeySQWQZVDNBPEROH-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-(3,5-dimethylfuran-2-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylfuran-2-yl)ethanone (CID 579675) is 1-(3,5-dimethylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylfuran-2-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylfuran-2-yl)ethanone is CC(=O)c1oc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylfuran-2-yl)ethanone?
The InChIKey is SQWQZVDNBPEROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3.
What are the key properties of 1-(3,5-dimethylfuran-2-yl)ethanone?
1-(3,5-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-(3,5-dimethylfuran-2-yl)ethanone is sourced from PubChem (CID 579675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).