2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one

C12H18O3 — CID 116747226

IUPAC2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1ccoc1
InChIInChI=1S/C12H18O3/c1-4-12(5-2,15-6-3)11(13)10-7-8-14-9-10/h7-9H,4-6H2,1-3H3
InChIKeyHJRLECYPIAVKFJ-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.06
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one

2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one (PubChem CID 116747226) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one
PubChem CID116747226
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1ccoc1
InChIInChI=1S/C12H18O3/c1-4-12(5-2,15-6-3)11(13)10-7-8-14-9-10/h7-9H,4-6H2,1-3H3
InChIKeyHJRLECYPIAVKFJ-UHFFFAOYSA-N
XLogP3.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one?
The IUPAC name of 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one (CID 116747226) is 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one is CCOC(CC)(CC)C(=O)c1ccoc1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one?
The InChIKey is HJRLECYPIAVKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-12(5-2,15-6-3)11(13)10-7-8-14-9-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one?
2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one has a molecular weight of 210.27 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one is sourced from PubChem (CID 116747226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).