2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde

C10H11BO4 — CID 87566381

IUPAC2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde
SMILESO=CCOB(OCC=O)c1ccccc1
InChIInChI=1S/C10H11BO4/c12-6-8-14-11(15-9-7-13)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyZEPIIHKJOCMBEN-UHFFFAOYSA-N
MW206.01 g/mol
LogP-0.19
Rot. Bonds7

About 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde

2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde (PubChem CID 87566381) has the molecular formula C10H11BO4 and a molecular weight of 206.01 g/mol. Its IUPAC name is 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde
PubChem CID87566381
Molecular FormulaC10H11BO4
Molecular Weight206.01 g/mol
Exact Mass206.08
IUPAC Name2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde
SMILESO=CCOB(OCC=O)c1ccccc1
InChIInChI=1S/C10H11BO4/c12-6-8-14-11(15-9-7-13)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyZEPIIHKJOCMBEN-UHFFFAOYSA-N
XLogP-0.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde?
The IUPAC name of 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde (CID 87566381) is 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde.
What is the SMILES notation for 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde?
The canonical SMILES for 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde is O=CCOB(OCC=O)c1ccccc1.
What is the InChIKey of 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde?
The InChIKey is ZEPIIHKJOCMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BO4/c12-6-8-14-11(15-9-7-13)10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde?
2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde has a molecular weight of 206.01 g/mol, XLogP of -0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxoethoxy(phenyl)boranyl]oxyacetaldehyde is sourced from PubChem (CID 87566381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).