2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde

C7H8O3 — CID 174958070

IUPAC2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde
SMILESCC1OC=CC1C(=O)C=O
InChIInChI=1S/C7H8O3/c1-5-6(2-3-10-5)7(9)4-8/h2-6H,1H3
InChIKeyQXLKKEPQDKLZHC-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.30
Rot. Bonds2

About 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde

2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde (PubChem CID 174958070) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde
PubChem CID174958070
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde
SMILESCC1OC=CC1C(=O)C=O
InChIInChI=1S/C7H8O3/c1-5-6(2-3-10-5)7(9)4-8/h2-6H,1H3
InChIKeyQXLKKEPQDKLZHC-UHFFFAOYSA-N
XLogP0.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde (CID 174958070) is 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde is CC1OC=CC1C(=O)C=O.
What is the InChIKey of 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde?
The InChIKey is QXLKKEPQDKLZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-6(2-3-10-5)7(9)4-8/h2-6H,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde?
2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde has a molecular weight of 140.14 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174958070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).