1,1-diethoxyethyl(ethoxy)phosphinic acid

C8H19O5P — CID 150387387

IUPAC1,1-diethoxyethyl(ethoxy)phosphinic acid
SMILESCCOC(C)(OCC)P(=O)(O)OCC
InChIInChI=1S/C8H19O5P/c1-5-11-8(4,12-6-2)14(9,10)13-7-3/h5-7H2,1-4H3,(H,9,10)
InChIKeyHAZDGLPWBBHRGH-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.96
Rot. Bonds7

About 1,1-diethoxyethyl(ethoxy)phosphinic acid

1,1-diethoxyethyl(ethoxy)phosphinic acid (PubChem CID 150387387) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is 1,1-diethoxyethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Name1,1-diethoxyethyl(ethoxy)phosphinic acid
PubChem CID150387387
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name1,1-diethoxyethyl(ethoxy)phosphinic acid
SMILESCCOC(C)(OCC)P(=O)(O)OCC
InChIInChI=1S/C8H19O5P/c1-5-11-8(4,12-6-2)14(9,10)13-7-3/h5-7H2,1-4H3,(H,9,10)
InChIKeyHAZDGLPWBBHRGH-UHFFFAOYSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy(3-ethylpentan-3-yl)phosphinic acid
CID 88819035
1,1-diethoxyethyl(difluoromethyl)phosphinic acid
CID 19988595
1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
CID 10468119
3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
CID 87344448
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
CID 174561283
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;bis(ethyl dihydrogen phosphate)
CID 174611775

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethyl(ethoxy)phosphinic acid?
The IUPAC name of 1,1-diethoxyethyl(ethoxy)phosphinic acid (CID 150387387) is 1,1-diethoxyethyl(ethoxy)phosphinic acid.
What is the SMILES notation for 1,1-diethoxyethyl(ethoxy)phosphinic acid?
The canonical SMILES for 1,1-diethoxyethyl(ethoxy)phosphinic acid is CCOC(C)(OCC)P(=O)(O)OCC.
What is the InChIKey of 1,1-diethoxyethyl(ethoxy)phosphinic acid?
The InChIKey is HAZDGLPWBBHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-5-11-8(4,12-6-2)14(9,10)13-7-3/h5-7H2,1-4H3,(H,9,10).
What are the key properties of 1,1-diethoxyethyl(ethoxy)phosphinic acid?
1,1-diethoxyethyl(ethoxy)phosphinic acid has a molecular weight of 226.21 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 150387387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).