2-diethoxyphosphoryl-3-methylthiophene

C9H15O3PS — CID 53363894

IUPAC2-diethoxyphosphoryl-3-methylthiophene
SMILESCCOP(=O)(OCC)c1sccc1C
InChIInChI=1S/C9H15O3PS/c1-4-11-13(10,12-5-2)9-8(3)6-7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyUYPQXRWUJLUWKK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.95
Rot. Bonds5

About 2-diethoxyphosphoryl-3-methylthiophene

2-diethoxyphosphoryl-3-methylthiophene (PubChem CID 53363894) has the molecular formula C9H15O3PS and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3-methylthiophene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3-methylthiophene
PubChem CID53363894
Molecular FormulaC9H15O3PS
Molecular Weight234.26 g/mol
Exact Mass234.05
IUPAC Name2-diethoxyphosphoryl-3-methylthiophene
SMILESCCOP(=O)(OCC)c1sccc1C
InChIInChI=1S/C9H15O3PS/c1-4-11-13(10,12-5-2)9-8(3)6-7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyUYPQXRWUJLUWKK-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-3-methylthiophene?
The IUPAC name of 2-diethoxyphosphoryl-3-methylthiophene (CID 53363894) is 2-diethoxyphosphoryl-3-methylthiophene.
What is the SMILES notation for 2-diethoxyphosphoryl-3-methylthiophene?
The canonical SMILES for 2-diethoxyphosphoryl-3-methylthiophene is CCOP(=O)(OCC)c1sccc1C.
What is the InChIKey of 2-diethoxyphosphoryl-3-methylthiophene?
The InChIKey is UYPQXRWUJLUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3PS/c1-4-11-13(10,12-5-2)9-8(3)6-7-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-3-methylthiophene?
2-diethoxyphosphoryl-3-methylthiophene has a molecular weight of 234.26 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3-methylthiophene is sourced from PubChem (CID 53363894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).