2H-pyran-5-carbaldehyde

C6H6O2 — CID 19089753

IUPAC2H-pyran-5-carbaldehyde
SMILESO=CC1=COCC=C1
InChIInChI=1S/C6H6O2/c7-4-6-2-1-3-8-5-6/h1-2,4-5H,3H2
InChIKeyFOHSOELDQLVKHX-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.66
Rot. Bonds1

About 2H-pyran-5-carbaldehyde

2H-pyran-5-carbaldehyde (PubChem CID 19089753) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 2H-pyran-5-carbaldehyde.

Molecular Properties

Compound Name2H-pyran-5-carbaldehyde
PubChem CID19089753
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name2H-pyran-5-carbaldehyde
SMILESO=CC1=COCC=C1
InChIInChI=1S/C6H6O2/c7-4-6-2-1-3-8-5-6/h1-2,4-5H,3H2
InChIKeyFOHSOELDQLVKHX-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2H-pyran-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-5-carbaldehyde?
The IUPAC name of 2H-pyran-5-carbaldehyde (CID 19089753) is 2H-pyran-5-carbaldehyde.
What is the SMILES notation for 2H-pyran-5-carbaldehyde?
The canonical SMILES for 2H-pyran-5-carbaldehyde is O=CC1=COCC=C1.
What is the InChIKey of 2H-pyran-5-carbaldehyde?
The InChIKey is FOHSOELDQLVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c7-4-6-2-1-3-8-5-6/h1-2,4-5H,3H2.
What are the key properties of 2H-pyran-5-carbaldehyde?
2H-pyran-5-carbaldehyde has a molecular weight of 110.11 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-5-carbaldehyde is sourced from PubChem (CID 19089753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).