5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide

C5H10O4P+ — CID 19816820

IUPAC5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCCOC1CO[P+](=O)OC1
InChIInChI=1S/C5H10O4P/c1-2-7-5-3-8-10(6)9-4-5/h5H,2-4H2,1H3/q+1
InChIKeyXFRHMUHUOBHQHG-UHFFFAOYSA-N
MW165.10 g/mol
LogP1.10
Rot. Bonds2

About 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide

5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide (PubChem CID 19816820) has the molecular formula C5H10O4P+ and a molecular weight of 165.10 g/mol. Its IUPAC name is 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide.

Molecular Properties

Compound Name5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
PubChem CID19816820
Molecular FormulaC5H10O4P+
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Name5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCCOC1CO[P+](=O)OC1
InChIInChI=1S/C5H10O4P/c1-2-7-5-3-8-10(6)9-4-5/h5H,2-4H2,1H3/q+1
InChIKeyXFRHMUHUOBHQHG-UHFFFAOYSA-N
XLogP1.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The IUPAC name of 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide (CID 19816820) is 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide.
What is the SMILES notation for 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The canonical SMILES for 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide is CCOC1CO[P+](=O)OC1.
What is the InChIKey of 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The InChIKey is XFRHMUHUOBHQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4P/c1-2-7-5-3-8-10(6)9-4-5/h5H,2-4H2,1H3/q+1.
What are the key properties of 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide has a molecular weight of 165.10 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide is sourced from PubChem (CID 19816820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).