5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C11H17O5PS — CID 15488042

IUPAC5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCOP(=O)(Cc1scc2c1OCCO2)OCC
InChIInChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)7-10-11-9(8-18-10)13-5-6-14-11/h8H,3-7H2,1-2H3
InChIKeySUXGELJRUBCTMY-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.29
Rot. Bonds6

About 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 15488042) has the molecular formula C11H17O5PS and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID15488042
Molecular FormulaC11H17O5PS
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCOP(=O)(Cc1scc2c1OCCO2)OCC
InChIInChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)7-10-11-9(8-18-10)13-5-6-14-11/h8H,3-7H2,1-2H3
InChIKeySUXGELJRUBCTMY-UHFFFAOYSA-N
XLogP3.29
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine 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 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 15488042) is 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCOP(=O)(Cc1scc2c1OCCO2)OCC.
What is the InChIKey of 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is SUXGELJRUBCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)7-10-11-9(8-18-10)13-5-6-14-11/h8H,3-7H2,1-2H3.
What are the key properties of 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 292.29 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxyphosphorylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 15488042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).