2,5-bis(diethoxyphosphorylmethyl)thiophene

C14H26O6P2S — CID 11246081

IUPAC2,5-bis(diethoxyphosphorylmethyl)thiophene
SMILESCCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)s1)OCC
InChIInChI=1S/C14H26O6P2S/c1-5-17-21(15,18-6-2)11-13-9-10-14(23-13)12-22(16,19-7-3)20-8-4/h9-10H,5-8,11-12H2,1-4H3
InChIKeyASHZCIUABYZDOJ-UHFFFAOYSA-N
MW384.37 g/mol
LogP5.28
Rot. Bonds12

About 2,5-bis(diethoxyphosphorylmethyl)thiophene

2,5-bis(diethoxyphosphorylmethyl)thiophene (PubChem CID 11246081) has the molecular formula C14H26O6P2S and a molecular weight of 384.37 g/mol. Its IUPAC name is 2,5-bis(diethoxyphosphorylmethyl)thiophene.

Molecular Properties

Compound Name2,5-bis(diethoxyphosphorylmethyl)thiophene
PubChem CID11246081
Molecular FormulaC14H26O6P2S
Molecular Weight384.37 g/mol
Exact Mass384.09
IUPAC Name2,5-bis(diethoxyphosphorylmethyl)thiophene
SMILESCCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)s1)OCC
InChIInChI=1S/C14H26O6P2S/c1-5-17-21(15,18-6-2)11-13-9-10-14(23-13)12-22(16,19-7-3)20-8-4/h9-10H,5-8,11-12H2,1-4H3
InChIKeyASHZCIUABYZDOJ-UHFFFAOYSA-N
XLogP5.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Thienyldifluoromethylphosphonic acid diethyl ester
CID 10516159
2-[(Z)-2-diethoxyphosphoryl-1-fluorobut-1-enyl]thiophene
CID 178338884
Diethyl (thiophen-2-ylethynyl)phosphonate
CID 11075673
2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
CID 122219694
Diethyl ((thiophen-2-yl)methyl)phosphonate
CID 4185897
1-Dimethoxyphosphoryl-2-thiophen-2-ylethanone
CID 10998925
2-(1-Dimethoxyphosphorylethenyl)thiophene
CID 166437016
(E)-4-diethoxyphosphoryl-5-thiophen-2-ylpent-4-en-2-one
CID 5469421
(Z)-4-diethoxyphosphoryl-5-(2-thienyl)pent-4-en-2-one
CID 6477557
CID 5383939
CID 5383939
2-(Diethoxyphosphorylmethyl)-5-thiophen-2-ylthiophene
CID 57553072
Diethyl(5-hexylthiophen-2-yl)methylphosphonate
CID 11809303

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(diethoxyphosphorylmethyl)thiophene?
The IUPAC name of 2,5-bis(diethoxyphosphorylmethyl)thiophene (CID 11246081) is 2,5-bis(diethoxyphosphorylmethyl)thiophene.
What is the SMILES notation for 2,5-bis(diethoxyphosphorylmethyl)thiophene?
The canonical SMILES for 2,5-bis(diethoxyphosphorylmethyl)thiophene is CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)s1)OCC.
What is the InChIKey of 2,5-bis(diethoxyphosphorylmethyl)thiophene?
The InChIKey is ASHZCIUABYZDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6P2S/c1-5-17-21(15,18-6-2)11-13-9-10-14(23-13)12-22(16,19-7-3)20-8-4/h9-10H,5-8,11-12H2,1-4H3.
What are the key properties of 2,5-bis(diethoxyphosphorylmethyl)thiophene?
2,5-bis(diethoxyphosphorylmethyl)thiophene has a molecular weight of 384.37 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(diethoxyphosphorylmethyl)thiophene is sourced from PubChem (CID 11246081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).