lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane

C6H14LiO5PS — CID 14362596

IUPAClithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
SMILESCCOP(=O)([CH-]S(C)(=O)=O)OCC.[Li+]
InChIInChI=1S/C6H14O5PS.Li/c1-4-10-12(7,11-5-2)6-13(3,8)9;/h6H,4-5H2,1-3H3;/q-1;+1
InChIKeyLQFPXWMBIWDLMW-UHFFFAOYSA-N
MW236.15 g/mol
LogP-1.58
Rot. Bonds6

About lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane

lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane (PubChem CID 14362596) has the molecular formula C6H14LiO5PS and a molecular weight of 236.15 g/mol. Its IUPAC name is lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Namelithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
PubChem CID14362596
Molecular FormulaC6H14LiO5PS
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Namelithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
SMILESCCOP(=O)([CH-]S(C)(=O)=O)OCC.[Li+]
InChIInChI=1S/C6H14O5PS.Li/c1-4-10-12(7,11-5-2)6-13(3,8)9;/h6H,4-5H2,1-3H3;/q-1;+1
InChIKeyLQFPXWMBIWDLMW-UHFFFAOYSA-N
XLogP-1.58
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (methanesulfonylmethyl)phosphonate
CID 533797
Ethyl (diethoxyphosphoryl)methanesulfonate
CID 10934205
Diethyl [Fluoro(methylsulfonyl)methyl]phosphonate
CID 168181558
Diethyl (methanesulfinylmethyl)phosphonate
CID 11031207
Sodium(diethoxyphosphoryl)methanesulfinate
CID 165587580
Diethyl ((fluorosulfonyl)methyl)phosphonate
CID 165600261
Diethyl [[(Trifluoromethyl)sulfonyl]methyl]phosphonate
CID 21847491
Ethoxy-[fluoro(methylsulfonyl)methyl]-oxophosphanium
CID 130464217
Ethoxy-[ethoxysulfonyl(fluoro)methyl]-oxophosphanium
CID 130464260
1-[Methoxy(trifluoromethylsulfonylmethyl)phosphoryl]oxyethane
CID 130466977
Diethoxyphosphorylmethyl fluoromethanesulfonate
CID 141114220
1-[Diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
CID 12862787

Frequently Asked Questions

What is the IUPAC name of lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane?
The IUPAC name of lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane (CID 14362596) is lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane.
What is the SMILES notation for lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane?
The canonical SMILES for lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane is CCOP(=O)([CH-]S(C)(=O)=O)OCC.[Li+].
What is the InChIKey of lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane?
The InChIKey is LQFPXWMBIWDLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5PS.Li/c1-4-10-12(7,11-5-2)6-13(3,8)9;/h6H,4-5H2,1-3H3;/q-1;+1.
What are the key properties of lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane?
lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane has a molecular weight of 236.15 g/mol, XLogP of -1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane is sourced from PubChem (CID 14362596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).