2-ethoxy-2H-pyran-3-carbaldehyde

C8H10O3 — CID 88733641

IUPAC2-ethoxy-2H-pyran-3-carbaldehyde
SMILESCCOC1OC=CC=C1C=O
InChIInChI=1S/C8H10O3/c1-2-10-8-7(6-9)4-3-5-11-8/h3-6,8H,2H2,1H3
InChIKeyLUDGTZPUELVPPI-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds3

About 2-ethoxy-2H-pyran-3-carbaldehyde

2-ethoxy-2H-pyran-3-carbaldehyde (PubChem CID 88733641) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-ethoxy-2H-pyran-3-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-2H-pyran-3-carbaldehyde
PubChem CID88733641
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-ethoxy-2H-pyran-3-carbaldehyde
SMILESCCOC1OC=CC=C1C=O
InChIInChI=1S/C8H10O3/c1-2-10-8-7(6-9)4-3-5-11-8/h3-6,8H,2H2,1H3
InChIKeyLUDGTZPUELVPPI-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.02
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-ethoxy-2H-pyran-3-carbaldehyde?
The IUPAC name of 2-ethoxy-2H-pyran-3-carbaldehyde (CID 88733641) is 2-ethoxy-2H-pyran-3-carbaldehyde.
What is the SMILES notation for 2-ethoxy-2H-pyran-3-carbaldehyde?
The canonical SMILES for 2-ethoxy-2H-pyran-3-carbaldehyde is CCOC1OC=CC=C1C=O.
What is the InChIKey of 2-ethoxy-2H-pyran-3-carbaldehyde?
The InChIKey is LUDGTZPUELVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-10-8-7(6-9)4-3-5-11-8/h3-6,8H,2H2,1H3.
What are the key properties of 2-ethoxy-2H-pyran-3-carbaldehyde?
2-ethoxy-2H-pyran-3-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2H-pyran-3-carbaldehyde is sourced from PubChem (CID 88733641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).