[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium

C3H9O5P2+ — CID 168867703

IUPAC[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium
SMILESCCP(=O)(OC)O[P+](=O)O
InChIInChI=1S/C3H8O5P2/c1-3-10(6,7-2)8-9(4)5/h3H2,1-2H3/p+1
InChIKeyOMPUXUBAJGRVNX-UHFFFAOYSA-O
MW187.05 g/mol
LogP1.51
Rot. Bonds4

About [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium

[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium (PubChem CID 168867703) has the molecular formula C3H9O5P2+ and a molecular weight of 187.05 g/mol. Its IUPAC name is [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium
PubChem CID168867703
Molecular FormulaC3H9O5P2+
Molecular Weight187.05 g/mol
Exact Mass186.99
IUPAC Name[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium
SMILESCCP(=O)(OC)O[P+](=O)O
InChIInChI=1S/C3H8O5P2/c1-3-10(6,7-2)8-9(4)5/h3H2,1-2H3/p+1
InChIKeyOMPUXUBAJGRVNX-UHFFFAOYSA-O
XLogP1.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.05
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium (CID 168867703) is [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium is CCP(=O)(OC)O[P+](=O)O.
What is the InChIKey of [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium?
The InChIKey is OMPUXUBAJGRVNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8O5P2/c1-3-10(6,7-2)8-9(4)5/h3H2,1-2H3/p+1.
What are the key properties of [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium?
[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium has a molecular weight of 187.05 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 168867703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).