(4-formyl-2,3-dihydrofuran-2-yl) acetate

C7H8O4 — CID 130025901

IUPAC(4-formyl-2,3-dihydrofuran-2-yl) acetate
SMILESCC(=O)OC1CC(C=O)=CO1
InChIInChI=1S/C7H8O4/c1-5(9)11-7-2-6(3-8)4-10-7/h3-4,7H,2H2,1H3
InChIKeyJXCAFAIMTXZZAW-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.38
Rot. Bonds2

About (4-formyl-2,3-dihydrofuran-2-yl) acetate

(4-formyl-2,3-dihydrofuran-2-yl) acetate (PubChem CID 130025901) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (4-formyl-2,3-dihydrofuran-2-yl) acetate.

Molecular Properties

Compound Name(4-formyl-2,3-dihydrofuran-2-yl) acetate
PubChem CID130025901
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(4-formyl-2,3-dihydrofuran-2-yl) acetate
SMILESCC(=O)OC1CC(C=O)=CO1
InChIInChI=1S/C7H8O4/c1-5(9)11-7-2-6(3-8)4-10-7/h3-4,7H,2H2,1H3
InChIKeyJXCAFAIMTXZZAW-UHFFFAOYSA-N
XLogP0.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-formyl-2,3-dihydrofuran-2-yl) acetate?
The IUPAC name of (4-formyl-2,3-dihydrofuran-2-yl) acetate (CID 130025901) is (4-formyl-2,3-dihydrofuran-2-yl) acetate.
What is the SMILES notation for (4-formyl-2,3-dihydrofuran-2-yl) acetate?
The canonical SMILES for (4-formyl-2,3-dihydrofuran-2-yl) acetate is CC(=O)OC1CC(C=O)=CO1.
What is the InChIKey of (4-formyl-2,3-dihydrofuran-2-yl) acetate?
The InChIKey is JXCAFAIMTXZZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-5(9)11-7-2-6(3-8)4-10-7/h3-4,7H,2H2,1H3.
What are the key properties of (4-formyl-2,3-dihydrofuran-2-yl) acetate?
(4-formyl-2,3-dihydrofuran-2-yl) acetate has a molecular weight of 156.14 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2,3-dihydrofuran-2-yl) acetate is sourced from PubChem (CID 130025901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).