ethoxyethane;methyl(methylsulfonyl)phosphinic acid

C6H17O5PS — CID 87983558

IUPACethoxyethane;methyl(methylsulfonyl)phosphinic acid
SMILESCCOCC.CP(=O)(O)S(C)(=O)=O
InChIInChI=1S/C4H10O.C2H7O4PS/c1-3-5-4-2;1-7(3,4)8(2,5)6/h3-4H2,1-2H3;1-2H3,(H,3,4)
InChIKeyKMAMFGPGEXLKKM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.89
Rot. Bonds3

About ethoxyethane;methyl(methylsulfonyl)phosphinic acid

ethoxyethane;methyl(methylsulfonyl)phosphinic acid (PubChem CID 87983558) has the molecular formula C6H17O5PS and a molecular weight of 232.24 g/mol. Its IUPAC name is ethoxyethane;methyl(methylsulfonyl)phosphinic acid.

Molecular Properties

Compound Nameethoxyethane;methyl(methylsulfonyl)phosphinic acid
PubChem CID87983558
Molecular FormulaC6H17O5PS
Molecular Weight232.24 g/mol
Exact Mass232.05
IUPAC Nameethoxyethane;methyl(methylsulfonyl)phosphinic acid
SMILESCCOCC.CP(=O)(O)S(C)(=O)=O
InChIInChI=1S/C4H10O.C2H7O4PS/c1-3-5-4-2;1-7(3,4)8(2,5)6/h3-4H2,1-2H3;1-2H3,(H,3,4)
InChIKeyKMAMFGPGEXLKKM-UHFFFAOYSA-N
XLogP0.89
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;formaldehyde
CID 174286087
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
ethoxyethane;silylsulfonylsilane
CID 173255647
lithium;ethoxyethane;chloride
CID 175344978
disodium;ethoxyethane;sulfate
CID 158792070
dilithium;ethoxyethane;carbonate
CID 173429420
dialuminum;ethoxyethane;trisulfate
CID 174817386
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;hexadecyl dihydrogen phosphate
CID 87093984
ethanol;ethene;ethoxyethane
CID 139434375

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;methyl(methylsulfonyl)phosphinic acid?
The IUPAC name of ethoxyethane;methyl(methylsulfonyl)phosphinic acid (CID 87983558) is ethoxyethane;methyl(methylsulfonyl)phosphinic acid.
What is the SMILES notation for ethoxyethane;methyl(methylsulfonyl)phosphinic acid?
The canonical SMILES for ethoxyethane;methyl(methylsulfonyl)phosphinic acid is CCOCC.CP(=O)(O)S(C)(=O)=O.
What is the InChIKey of ethoxyethane;methyl(methylsulfonyl)phosphinic acid?
The InChIKey is KMAMFGPGEXLKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H7O4PS/c1-3-5-4-2;1-7(3,4)8(2,5)6/h3-4H2,1-2H3;1-2H3,(H,3,4).
What are the key properties of ethoxyethane;methyl(methylsulfonyl)phosphinic acid?
ethoxyethane;methyl(methylsulfonyl)phosphinic acid has a molecular weight of 232.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methyl(methylsulfonyl)phosphinic acid is sourced from PubChem (CID 87983558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).