5H-oxaphosphol-2-ium 2-oxide

C3H4O2P+ — CID 71372903

IUPAC5H-oxaphosphol-2-ium 2-oxide
SMILESO=[P+]1C=CCO1
InChIInChI=1S/C3H4O2P/c4-6-3-1-2-5-6/h1,3H,2H2/q+1
InChIKeyUVOFCGUKEQFKSJ-UHFFFAOYSA-N
MW103.04 g/mol
LogP1.27
Rot. Bonds

About 5H-oxaphosphol-2-ium 2-oxide

5H-oxaphosphol-2-ium 2-oxide (PubChem CID 71372903) has the molecular formula C3H4O2P+ and a molecular weight of 103.04 g/mol. Its IUPAC name is 5H-oxaphosphol-2-ium 2-oxide.

Molecular Properties

Compound Name5H-oxaphosphol-2-ium 2-oxide
PubChem CID71372903
Molecular FormulaC3H4O2P+
Molecular Weight103.04 g/mol
Exact Mass102.99
IUPAC Name5H-oxaphosphol-2-ium 2-oxide
SMILESO=[P+]1C=CCO1
InChIInChI=1S/C3H4O2P/c4-6-3-1-2-5-6/h1,3H,2H2/q+1
InChIKeyUVOFCGUKEQFKSJ-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.04
LogP ≤ 51.27
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 5H-oxaphosphol-2-ium 2-oxide?
The IUPAC name of 5H-oxaphosphol-2-ium 2-oxide (CID 71372903) is 5H-oxaphosphol-2-ium 2-oxide.
What is the SMILES notation for 5H-oxaphosphol-2-ium 2-oxide?
The canonical SMILES for 5H-oxaphosphol-2-ium 2-oxide is O=[P+]1C=CCO1.
What is the InChIKey of 5H-oxaphosphol-2-ium 2-oxide?
The InChIKey is UVOFCGUKEQFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2P/c4-6-3-1-2-5-6/h1,3H,2H2/q+1.
What are the key properties of 5H-oxaphosphol-2-ium 2-oxide?
5H-oxaphosphol-2-ium 2-oxide has a molecular weight of 103.04 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-oxaphosphol-2-ium 2-oxide is sourced from PubChem (CID 71372903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).