sodium ethoxy(ethoxycarbonyl)phosphinate

C5H10NaO5P — CID 23679407

IUPACsodium ethoxy(ethoxycarbonyl)phosphinate
SMILESCCOC(=O)P(=O)([O-])OCC.[Na+]
InChIInChI=1S/C5H11O5P.Na/c1-3-9-5(6)11(7,8)10-4-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyVLGUOEHLZNBDNO-UHFFFAOYSA-M
MW204.09 g/mol
LogP-2.26
Rot. Bonds4

About sodium ethoxy(ethoxycarbonyl)phosphinate

sodium ethoxy(ethoxycarbonyl)phosphinate (PubChem CID 23679407) has the molecular formula C5H10NaO5P and a molecular weight of 204.09 g/mol. Its IUPAC name is sodium ethoxy(ethoxycarbonyl)phosphinate.

Molecular Properties

Compound Namesodium ethoxy(ethoxycarbonyl)phosphinate
PubChem CID23679407
Molecular FormulaC5H10NaO5P
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Namesodium ethoxy(ethoxycarbonyl)phosphinate
SMILESCCOC(=O)P(=O)([O-])OCC.[Na+]
InChIInChI=1S/C5H11O5P.Na/c1-3-9-5(6)11(7,8)10-4-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyVLGUOEHLZNBDNO-UHFFFAOYSA-M
XLogP-2.26
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide
CID 65081
Disodium (ethoxyoxydophosphanyl)formate
CID 13077914
Methyl diethylphosphonoacetate
CID 66113
Phosphinecarboxylic acid, 1,1-diethoxy-, methyl ester, 1-oxide
CID 170573
Diethyl (Methoxymethyl)phosphonate
CID 11658394
Disodium (ethoxycarbonyl)phosphonate
CID 73185
Ethoxy(ethoxycarbonyl)phosphinic acid
CID 511879
Phosphinecarboxylic acid, dihydroxy-, propyl ester, oxide
CID 512085
Phosphinecarboxylic acid, butoxyhydroxy-, methyl ester, oxide
CID 512098
Phosphinecarboxylic acid, dimethoxy-, 1-methylethyl ester, oxide
CID 512107
Phosphinecarboxylic acid, dimethoxy-, butyl ester, oxide
CID 512108
Disodium butoxycarbonylphosphonate
CID 13077922

Frequently Asked Questions

What is the IUPAC name of sodium ethoxy(ethoxycarbonyl)phosphinate?
The IUPAC name of sodium ethoxy(ethoxycarbonyl)phosphinate (CID 23679407) is sodium ethoxy(ethoxycarbonyl)phosphinate.
What is the SMILES notation for sodium ethoxy(ethoxycarbonyl)phosphinate?
The canonical SMILES for sodium ethoxy(ethoxycarbonyl)phosphinate is CCOC(=O)P(=O)([O-])OCC.[Na+].
What is the InChIKey of sodium ethoxy(ethoxycarbonyl)phosphinate?
The InChIKey is VLGUOEHLZNBDNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O5P.Na/c1-3-9-5(6)11(7,8)10-4-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium ethoxy(ethoxycarbonyl)phosphinate?
sodium ethoxy(ethoxycarbonyl)phosphinate has a molecular weight of 204.09 g/mol, XLogP of -2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethoxy(ethoxycarbonyl)phosphinate is sourced from PubChem (CID 23679407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).