4H-pyran-2-carbaldehyde

C6H6O2 — CID 20528351

IUPAC4H-pyran-2-carbaldehyde
SMILESO=CC1=CCC=CO1
InChIInChI=1S/C6H6O2/c7-5-6-3-1-2-4-8-6/h2-5H,1H2
InChIKeyFSTUZDYUQOHTHL-UHFFFAOYSA-N
MW110.11 g/mol
LogP1.00
Rot. Bonds1

About 4H-pyran-2-carbaldehyde

4H-pyran-2-carbaldehyde (PubChem CID 20528351) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 4H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name4H-pyran-2-carbaldehyde
PubChem CID20528351
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name4H-pyran-2-carbaldehyde
SMILESO=CC1=CCC=CO1
InChIInChI=1S/C6H6O2/c7-5-6-3-1-2-4-8-6/h2-5H,1H2
InChIKeyFSTUZDYUQOHTHL-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-pyran-2-carbaldehyde?
The IUPAC name of 4H-pyran-2-carbaldehyde (CID 20528351) is 4H-pyran-2-carbaldehyde.
What is the SMILES notation for 4H-pyran-2-carbaldehyde?
The canonical SMILES for 4H-pyran-2-carbaldehyde is O=CC1=CCC=CO1.
What is the InChIKey of 4H-pyran-2-carbaldehyde?
The InChIKey is FSTUZDYUQOHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-6-3-1-2-4-8-6/h2-5H,1H2.
What are the key properties of 4H-pyran-2-carbaldehyde?
4H-pyran-2-carbaldehyde has a molecular weight of 110.11 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyran-2-carbaldehyde is sourced from PubChem (CID 20528351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).