(2-methoxy-2-oxoethyl)-methylphosphanium

C4H10O2P+ — CID 20641111

IUPAC(2-methoxy-2-oxoethyl)-methylphosphanium
SMILESCOC(=O)C[PH2+]C
InChIInChI=1S/C4H9O2P/c1-6-4(5)3-7-2/h7H,3H2,1-2H3/p+1
InChIKeyJZMUEXHVPOCMLW-UHFFFAOYSA-O
MW121.10 g/mol
LogP0.20
Rot. Bonds2

About (2-methoxy-2-oxoethyl)-methylphosphanium

(2-methoxy-2-oxoethyl)-methylphosphanium (PubChem CID 20641111) has the molecular formula C4H10O2P+ and a molecular weight of 121.10 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-methylphosphanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-methylphosphanium
PubChem CID20641111
Molecular FormulaC4H10O2P+
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Name(2-methoxy-2-oxoethyl)-methylphosphanium
SMILESCOC(=O)C[PH2+]C
InChIInChI=1S/C4H9O2P/c1-6-4(5)3-7-2/h7H,3H2,1-2H3/p+1
InChIKeyJZMUEXHVPOCMLW-UHFFFAOYSA-O
XLogP0.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-methylphosphanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-methylphosphanium (CID 20641111) is (2-methoxy-2-oxoethyl)-methylphosphanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-methylphosphanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-methylphosphanium is COC(=O)C[PH2+]C.
What is the InChIKey of (2-methoxy-2-oxoethyl)-methylphosphanium?
The InChIKey is JZMUEXHVPOCMLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O2P/c1-6-4(5)3-7-2/h7H,3H2,1-2H3/p+1.
What are the key properties of (2-methoxy-2-oxoethyl)-methylphosphanium?
(2-methoxy-2-oxoethyl)-methylphosphanium has a molecular weight of 121.10 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)-methylphosphanium is sourced from PubChem (CID 20641111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).