3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene

C18H28O6P2S2 — CID 59155843

IUPAC3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
SMILESCCOP(=O)(OCC)c1cc(C)sc1-c1sc(C)cc1P(=O)(OCC)OCC
InChIInChI=1S/C18H28O6P2S2/c1-7-21-25(19,22-8-2)15-11-13(5)27-17(15)18-16(12-14(6)28-18)26(20,23-9-3)24-10-4/h11-12H,7-10H2,1-6H3
InChIKeyGYAYPONXOGYFFY-UHFFFAOYSA-N
MW466.50 g/mol
LogP5.88
Rot. Bonds11

About 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene

3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene (PubChem CID 59155843) has the molecular formula C18H28O6P2S2 and a molecular weight of 466.50 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
PubChem CID59155843
Molecular FormulaC18H28O6P2S2
Molecular Weight466.50 g/mol
Exact Mass466.08
IUPAC Name3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
SMILESCCOP(=O)(OCC)c1cc(C)sc1-c1sc(C)cc1P(=O)(OCC)OCC
InChIInChI=1S/C18H28O6P2S2/c1-7-21-25(19,22-8-2)15-11-13(5)27-17(15)18-16(12-14(6)28-18)26(20,23-9-3)24-10-4/h11-12H,7-10H2,1-6H3
InChIKeyGYAYPONXOGYFFY-UHFFFAOYSA-N
XLogP5.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene?
The IUPAC name of 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene (CID 59155843) is 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene.
What is the SMILES notation for 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene?
The canonical SMILES for 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene is CCOP(=O)(OCC)c1cc(C)sc1-c1sc(C)cc1P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene?
The InChIKey is GYAYPONXOGYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6P2S2/c1-7-21-25(19,22-8-2)15-11-13(5)27-17(15)18-16(12-14(6)28-18)26(20,23-9-3)24-10-4/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene?
3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene has a molecular weight of 466.50 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene is sourced from PubChem (CID 59155843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).