2-pyrano[3,2-b]pyran-3-ylacetaldehyde

C10H8O3 — CID 175732586

IUPAC2-pyrano[3,2-b]pyran-3-ylacetaldehyde
SMILESO=CCC1=COC2=CC=COC2=C1
InChIInChI=1S/C10H8O3/c11-4-3-8-6-10-9(13-7-8)2-1-5-12-10/h1-2,4-7H,3H2
InChIKeyRSRYNYAVHRKLPK-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.80
Rot. Bonds2

About 2-pyrano[3,2-b]pyran-3-ylacetaldehyde

2-pyrano[3,2-b]pyran-3-ylacetaldehyde (PubChem CID 175732586) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-pyrano[3,2-b]pyran-3-ylacetaldehyde.

Molecular Properties

Compound Name2-pyrano[3,2-b]pyran-3-ylacetaldehyde
PubChem CID175732586
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name2-pyrano[3,2-b]pyran-3-ylacetaldehyde
SMILESO=CCC1=COC2=CC=COC2=C1
InChIInChI=1S/C10H8O3/c11-4-3-8-6-10-9(13-7-8)2-1-5-12-10/h1-2,4-7H,3H2
InChIKeyRSRYNYAVHRKLPK-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrano[3,2-b]pyran-3-ylacetaldehyde?
The IUPAC name of 2-pyrano[3,2-b]pyran-3-ylacetaldehyde (CID 175732586) is 2-pyrano[3,2-b]pyran-3-ylacetaldehyde.
What is the SMILES notation for 2-pyrano[3,2-b]pyran-3-ylacetaldehyde?
The canonical SMILES for 2-pyrano[3,2-b]pyran-3-ylacetaldehyde is O=CCC1=COC2=CC=COC2=C1.
What is the InChIKey of 2-pyrano[3,2-b]pyran-3-ylacetaldehyde?
The InChIKey is RSRYNYAVHRKLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-4-3-8-6-10-9(13-7-8)2-1-5-12-10/h1-2,4-7H,3H2.
What are the key properties of 2-pyrano[3,2-b]pyran-3-ylacetaldehyde?
2-pyrano[3,2-b]pyran-3-ylacetaldehyde has a molecular weight of 176.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrano[3,2-b]pyran-3-ylacetaldehyde is sourced from PubChem (CID 175732586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).