2-(2-diethoxyphosphorylethynyl)thiophene

C10H13O3PS — CID 11075673

IUPAC2-(2-diethoxyphosphorylethynyl)thiophene
SMILESCCOP(=O)(C#Cc1cccs1)OCC
InChIInChI=1S/C10H13O3PS/c1-3-12-14(11,13-4-2)8-7-10-6-5-9-15-10/h5-6,9H,3-4H2,1-2H3
InChIKeyXOKFGVVVEQIELM-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.32
Rot. Bonds4

About 2-(2-diethoxyphosphorylethynyl)thiophene

2-(2-diethoxyphosphorylethynyl)thiophene (PubChem CID 11075673) has the molecular formula C10H13O3PS and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-diethoxyphosphorylethynyl)thiophene.

Molecular Properties

Compound Name2-(2-diethoxyphosphorylethynyl)thiophene
PubChem CID11075673
Molecular FormulaC10H13O3PS
Molecular Weight244.25 g/mol
Exact Mass244.03
IUPAC Name2-(2-diethoxyphosphorylethynyl)thiophene
SMILESCCOP(=O)(C#Cc1cccs1)OCC
InChIInChI=1S/C10H13O3PS/c1-3-12-14(11,13-4-2)8-7-10-6-5-9-15-10/h5-6,9H,3-4H2,1-2H3
InChIKeyXOKFGVVVEQIELM-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphorylethynyl)thiophene?
The IUPAC name of 2-(2-diethoxyphosphorylethynyl)thiophene (CID 11075673) is 2-(2-diethoxyphosphorylethynyl)thiophene.
What is the SMILES notation for 2-(2-diethoxyphosphorylethynyl)thiophene?
The canonical SMILES for 2-(2-diethoxyphosphorylethynyl)thiophene is CCOP(=O)(C#Cc1cccs1)OCC.
What is the InChIKey of 2-(2-diethoxyphosphorylethynyl)thiophene?
The InChIKey is XOKFGVVVEQIELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3PS/c1-3-12-14(11,13-4-2)8-7-10-6-5-9-15-10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-(2-diethoxyphosphorylethynyl)thiophene?
2-(2-diethoxyphosphorylethynyl)thiophene has a molecular weight of 244.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphorylethynyl)thiophene is sourced from PubChem (CID 11075673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).