2-oxido-1,3,2-dioxaphospholane

C2H4O3P- — CID 136731293

IUPAC2-oxido-1,3,2-dioxaphospholane
SMILES[O-]P1OCCO1
InChIInChI=1S/C2H4O3P/c3-6-4-1-2-5-6/h1-2H2/q-1
InChIKeyQURYQKWYLBBMPS-UHFFFAOYSA-N
MW107.03 g/mol
LogP-0.38
Rot. Bonds

About 2-oxido-1,3,2-dioxaphospholane

2-oxido-1,3,2-dioxaphospholane (PubChem CID 136731293) has the molecular formula C2H4O3P- and a molecular weight of 107.03 g/mol. Its IUPAC name is 2-oxido-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-oxido-1,3,2-dioxaphospholane
PubChem CID136731293
Molecular FormulaC2H4O3P-
Molecular Weight107.03 g/mol
Exact Mass106.99
IUPAC Name2-oxido-1,3,2-dioxaphospholane
SMILES[O-]P1OCCO1
InChIInChI=1S/C2H4O3P/c3-6-4-1-2-5-6/h1-2H2/q-1
InChIKeyQURYQKWYLBBMPS-UHFFFAOYSA-N
XLogP-0.38
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.03
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxido-1,3,2-dioxaphospholane 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 2-oxido-1,3,2-dioxaphospholane?
The IUPAC name of 2-oxido-1,3,2-dioxaphospholane (CID 136731293) is 2-oxido-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-oxido-1,3,2-dioxaphospholane?
The canonical SMILES for 2-oxido-1,3,2-dioxaphospholane is [O-]P1OCCO1.
What is the InChIKey of 2-oxido-1,3,2-dioxaphospholane?
The InChIKey is QURYQKWYLBBMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3P/c3-6-4-1-2-5-6/h1-2H2/q-1.
What are the key properties of 2-oxido-1,3,2-dioxaphospholane?
2-oxido-1,3,2-dioxaphospholane has a molecular weight of 107.03 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxido-1,3,2-dioxaphospholane is sourced from PubChem (CID 136731293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).