2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene

C11H17O3PS — CID 44521605

IUPAC2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene
SMILESCCOP(=O)(/C=C(\C)c1cccs1)OCC
InChIInChI=1S/C11H17O3PS/c1-4-13-15(12,14-5-2)9-10(3)11-7-6-8-16-11/h6-9H,4-5H2,1-3H3/b10-9+
InChIKeyWCKRUOCHPOQUQH-MDZDMXLPSA-N
MW260.29 g/mol
LogP4.38
Rot. Bonds6

About 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene

2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene (PubChem CID 44521605) has the molecular formula C11H17O3PS and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene.

Molecular Properties

Compound Name2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene
PubChem CID44521605
Molecular FormulaC11H17O3PS
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene
SMILESCCOP(=O)(/C=C(\C)c1cccs1)OCC
InChIInChI=1S/C11H17O3PS/c1-4-13-15(12,14-5-2)9-10(3)11-7-6-8-16-11/h6-9H,4-5H2,1-3H3/b10-9+
InChIKeyWCKRUOCHPOQUQH-MDZDMXLPSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.38
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-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene?
The IUPAC name of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene (CID 44521605) is 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene.
What is the SMILES notation for 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene?
The canonical SMILES for 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene is CCOP(=O)(/C=C(\C)c1cccs1)OCC.
What is the InChIKey of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene?
The InChIKey is WCKRUOCHPOQUQH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H17O3PS/c1-4-13-15(12,14-5-2)9-10(3)11-7-6-8-16-11/h6-9H,4-5H2,1-3H3/b10-9+.
What are the key properties of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene?
2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene has a molecular weight of 260.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene is sourced from PubChem (CID 44521605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).