5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde

C9H10O4 — CID 102607069

IUPAC5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(COC2COC2)o1
InChIInChI=1S/C9H10O4/c10-3-7-1-2-8(13-7)6-12-9-4-11-5-9/h1-3,9H,4-6H2
InChIKeyROEFWUVETFXLBS-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.01
Rot. Bonds4

About 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde

5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde (PubChem CID 102607069) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde
PubChem CID102607069
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(COC2COC2)o1
InChIInChI=1S/C9H10O4/c10-3-7-1-2-8(13-7)6-12-9-4-11-5-9/h1-3,9H,4-6H2
InChIKeyROEFWUVETFXLBS-UHFFFAOYSA-N
XLogP1.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.01
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 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde (CID 102607069) is 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde is O=Cc1ccc(COC2COC2)o1.
What is the InChIKey of 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde?
The InChIKey is ROEFWUVETFXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-3-7-1-2-8(13-7)6-12-9-4-11-5-9/h1-3,9H,4-6H2.
What are the key properties of 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde?
5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde has a molecular weight of 182.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 102607069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).