1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone

C12H16O3 — CID 85443641

IUPAC1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone
SMILESCC=CC1OC(C)=C(C(C)=O)C1C(C)=O
InChIInChI=1S/C12H16O3/c1-5-6-10-12(8(3)14)11(7(2)13)9(4)15-10/h5-6,10,12H,1-4H3
InChIKeyARVGXLRONYYDPM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone

1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone (PubChem CID 85443641) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone
PubChem CID85443641
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone
SMILESCC=CC1OC(C)=C(C(C)=O)C1C(C)=O
InChIInChI=1S/C12H16O3/c1-5-6-10-12(8(3)14)11(7(2)13)9(4)15-10/h5-6,10,12H,1-4H3
InChIKeyARVGXLRONYYDPM-UHFFFAOYSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone?
The IUPAC name of 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone (CID 85443641) is 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone is CC=CC1OC(C)=C(C(C)=O)C1C(C)=O.
What is the InChIKey of 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone?
The InChIKey is ARVGXLRONYYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-6-10-12(8(3)14)11(7(2)13)9(4)15-10/h5-6,10,12H,1-4H3.
What are the key properties of 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone?
1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-5-methyl-2-prop-1-enyl-2,3-dihydrofuran-3-yl)ethanone is sourced from PubChem (CID 85443641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).