4H-1,3,2-dioxaphosphinin-2-ium 2-oxide

C3H4O3P+ — CID 19889413

IUPAC4H-1,3,2-dioxaphosphinin-2-ium 2-oxide
SMILESO=[P+]1OC=CCO1
InChIInChI=1S/C3H4O3P/c4-7-5-2-1-3-6-7/h1-2H,3H2/q+1
InChIKeyYMMKAMKLUBAASS-UHFFFAOYSA-N
MW119.04 g/mol
LogP1.20
Rot. Bonds

About 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide

4H-1,3,2-dioxaphosphinin-2-ium 2-oxide (PubChem CID 19889413) has the molecular formula C3H4O3P+ and a molecular weight of 119.04 g/mol. Its IUPAC name is 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide.

Molecular Properties

Compound Name4H-1,3,2-dioxaphosphinin-2-ium 2-oxide
PubChem CID19889413
Molecular FormulaC3H4O3P+
Molecular Weight119.04 g/mol
Exact Mass118.99
IUPAC Name4H-1,3,2-dioxaphosphinin-2-ium 2-oxide
SMILESO=[P+]1OC=CCO1
InChIInChI=1S/C3H4O3P/c4-7-5-2-1-3-6-7/h1-2H,3H2/q+1
InChIKeyYMMKAMKLUBAASS-UHFFFAOYSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.04
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide?
The IUPAC name of 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide (CID 19889413) is 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide.
What is the SMILES notation for 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide?
The canonical SMILES for 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide is O=[P+]1OC=CCO1.
What is the InChIKey of 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide?
The InChIKey is YMMKAMKLUBAASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3P/c4-7-5-2-1-3-6-7/h1-2H,3H2/q+1.
What are the key properties of 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide?
4H-1,3,2-dioxaphosphinin-2-ium 2-oxide has a molecular weight of 119.04 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3,2-dioxaphosphinin-2-ium 2-oxide is sourced from PubChem (CID 19889413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).