6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

C9H14O3 — CID 20571373

IUPAC6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCCOC1C=CC(C)C(C=O)O1
InChIInChI=1S/C9H14O3/c1-3-11-9-5-4-7(2)8(6-10)12-9/h4-9H,3H2,1-2H3
InChIKeyFLZMGRDESPZSFB-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds3

About 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 20571373) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID20571373
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCCOC1C=CC(C)C(C=O)O1
InChIInChI=1S/C9H14O3/c1-3-11-9-5-4-7(2)8(6-10)12-9/h4-9H,3H2,1-2H3
InChIKeyFLZMGRDESPZSFB-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 20571373) is 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is CCOC1C=CC(C)C(C=O)O1.
What is the InChIKey of 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is FLZMGRDESPZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-11-9-5-4-7(2)8(6-10)12-9/h4-9H,3H2,1-2H3.
What are the key properties of 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 20571373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).