(2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde

C10H16O4 — CID 11816482

IUPAC(2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCCOC(C)O[C@@H]1C=CC[C@H](C=O)O1
InChIInChI=1S/C10H16O4/c1-3-12-8(2)13-10-6-4-5-9(7-11)14-10/h4,6-10H,3,5H2,1-2H3/t8?,9-,10+/m1/s1
InChIKeyXKYZQRYDCHOOJL-XVBQNVSMSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds5

About (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde

(2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 11816482) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID11816482
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCCOC(C)O[C@@H]1C=CC[C@H](C=O)O1
InChIInChI=1S/C10H16O4/c1-3-12-8(2)13-10-6-4-5-9(7-11)14-10/h4,6-10H,3,5H2,1-2H3/t8?,9-,10+/m1/s1
InChIKeyXKYZQRYDCHOOJL-XVBQNVSMSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-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 (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 11816482) is (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde is CCOC(C)O[C@@H]1C=CC[C@H](C=O)O1.
What is the InChIKey of (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is XKYZQRYDCHOOJL-XVBQNVSMSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-12-8(2)13-10-6-4-5-9(7-11)14-10/h4,6-10H,3,5H2,1-2H3/t8?,9-,10+/m1/s1.
What are the key properties of (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde?
(2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 200.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-(1-ethoxyethoxy)-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 11816482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).