2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone

C11H16O3 — CID 115783034

IUPAC2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCCOCC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C11H16O3/c1-5-13-6-10(12)11-7(2)8(3)14-9(11)4/h5-6H2,1-4H3
InChIKeyJLZZHXMCVNZXQN-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.42
Rot. Bonds4

About 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone

2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone (PubChem CID 115783034) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone
PubChem CID115783034
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCCOCC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C11H16O3/c1-5-13-6-10(12)11-7(2)8(3)14-9(11)4/h5-6H2,1-4H3
InChIKeyJLZZHXMCVNZXQN-UHFFFAOYSA-N
XLogP2.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetyl-2,4-dimethylfuran
CID 579676
Triethyl furan-2,3,4-tricarboxylate
CID 248760
6-Methoxy-3-methyl-2-benzofuran-4,5-dione
CID 10261969
2,4,5-Trimethylfuran-3-carbaldehyde
CID 65152500
Methyl 5-methoxy-2-methyl-4,7-dioxo-1-benzofuran-3-carboxylate
CID 102226313
4-(3-Acetyl-4-methyl-5-propylfuran-2-yl)butan-2-one
CID 137658369
4,8-Diethoxy-1,3-dimethylcyclohepta[c]furanium
CID 2904924
1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone
CID 318285
3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester
CID 539859
2-Ethyl 3,4-dimethyl 5-methylfuran-2,3,4-tri-carboxylate
CID 11807749
Dimethyl 2-acetyl-5-methylfuran-3,4-dicarboxylate
CID 14387571
Triethyl 5-methylfuran-2,3,4-tricarboxylate
CID 71540450

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone (CID 115783034) is 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone is CCOCC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The InChIKey is JLZZHXMCVNZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-13-6-10(12)11-7(2)8(3)14-9(11)4/h5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone?
2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone has a molecular weight of 196.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone is sourced from PubChem (CID 115783034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).