2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran

C10H18O3 — CID 15583444

IUPAC2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran
SMILESCCOCCOCC1CCC=CO1
InChIInChI=1S/C10H18O3/c1-2-11-7-8-12-9-10-5-3-4-6-13-10/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyAYQXUWBXZLFYLQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds6

About 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran

2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 15583444) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran
PubChem CID15583444
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran
SMILESCCOCCOCC1CCC=CO1
InChIInChI=1S/C10H18O3/c1-2-11-7-8-12-9-10-5-3-4-6-13-10/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyAYQXUWBXZLFYLQ-UHFFFAOYSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran 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 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran (CID 15583444) is 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran is CCOCCOCC1CCC=CO1.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is AYQXUWBXZLFYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-11-7-8-12-9-10-5-3-4-6-13-10/h4,6,10H,2-3,5,7-9H2,1H3.
What are the key properties of 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran?
2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 186.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 15583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).