ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid

C6H14O6P2 — CID 101374265

IUPACethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
SMILESC=C(P(=O)(O)OCC)P(=O)(O)OCC
InChIInChI=1S/C6H14O6P2/c1-4-11-13(7,8)6(3)14(9,10)12-5-2/h3-5H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGBGIMBGVEIOHDR-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.90
Rot. Bonds6

About ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid

ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid (PubChem CID 101374265) has the molecular formula C6H14O6P2 and a molecular weight of 244.12 g/mol. Its IUPAC name is ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
PubChem CID101374265
Molecular FormulaC6H14O6P2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Nameethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
SMILESC=C(P(=O)(O)OCC)P(=O)(O)OCC
InChIInChI=1S/C6H14O6P2/c1-4-11-13(7,8)6(3)14(9,10)12-5-2/h3-5H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGBGIMBGVEIOHDR-UHFFFAOYSA-N
XLogP1.90
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)ethenyl-ethoxyphosphinic acid
CID 88843519
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
diethyl hydrogen phosphate;sulfane
CID 88774651
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;scandium
CID 54607585
CID 87495286
CID 87495286

Frequently Asked Questions

What is the IUPAC name of ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid?
The IUPAC name of ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid (CID 101374265) is ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid.
What is the SMILES notation for ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid?
The canonical SMILES for ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid is C=C(P(=O)(O)OCC)P(=O)(O)OCC.
What is the InChIKey of ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid?
The InChIKey is GBGIMBGVEIOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6P2/c1-4-11-13(7,8)6(3)14(9,10)12-5-2/h3-5H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid?
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid has a molecular weight of 244.12 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid is sourced from PubChem (CID 101374265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).