1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone

C8H12O3 — CID 58492839

IUPAC1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone
SMILESCOCC1C=CC(C(C)=O)O1
InChIInChI=1S/C8H12O3/c1-6(9)8-4-3-7(11-8)5-10-2/h3-4,7-8H,5H2,1-2H3
InChIKeyOWLMZTIGPAGGKK-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.55
Rot. Bonds3

About 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone

1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone (PubChem CID 58492839) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone
PubChem CID58492839
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone
SMILESCOCC1C=CC(C(C)=O)O1
InChIInChI=1S/C8H12O3/c1-6(9)8-4-3-7(11-8)5-10-2/h3-4,7-8H,5H2,1-2H3
InChIKeyOWLMZTIGPAGGKK-UHFFFAOYSA-N
XLogP0.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.55
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-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone?
The IUPAC name of 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone (CID 58492839) is 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone?
The canonical SMILES for 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone is COCC1C=CC(C(C)=O)O1.
What is the InChIKey of 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone?
The InChIKey is OWLMZTIGPAGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(9)8-4-3-7(11-8)5-10-2/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone?
1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone has a molecular weight of 156.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone is sourced from PubChem (CID 58492839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).