ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium

C7H16O5PS+ — CID 88935537

IUPACethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium
SMILESCCO[P+](=O)C(C)S(=O)(=O)OC(C)C
InChIInChI=1S/C7H16O5PS/c1-5-11-13(8)7(4)14(9,10)12-6(2)3/h6-7H,5H2,1-4H3/q+1
InChIKeyKARBQAQSQHXWTM-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.87
Rot. Bonds6

About ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium

ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium (PubChem CID 88935537) has the molecular formula C7H16O5PS+ and a molecular weight of 243.24 g/mol. Its IUPAC name is ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium
PubChem CID88935537
Molecular FormulaC7H16O5PS+
Molecular Weight243.24 g/mol
Exact Mass243.05
IUPAC Nameethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium
SMILESCCO[P+](=O)C(C)S(=O)(=O)OC(C)C
InChIInChI=1S/C7H16O5PS/c1-5-11-13(8)7(4)14(9,10)12-6(2)3/h6-7H,5H2,1-4H3/q+1
InChIKeyKARBQAQSQHXWTM-UHFFFAOYSA-N
XLogP1.87
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium?
The IUPAC name of ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium (CID 88935537) is ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium?
The canonical SMILES for ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium is CCO[P+](=O)C(C)S(=O)(=O)OC(C)C.
What is the InChIKey of ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium?
The InChIKey is KARBQAQSQHXWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5PS/c1-5-11-13(8)7(4)14(9,10)12-6(2)3/h6-7H,5H2,1-4H3/q+1.
What are the key properties of ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium?
ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium has a molecular weight of 243.24 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium is sourced from PubChem (CID 88935537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).