cyclobuten-1-yloxy-hydroxy-oxophosphanium

C4H6O3P+ — CID 174566956

IUPACcyclobuten-1-yloxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC1=CCC1
InChIInChI=1S/C4H5O3P/c5-8(6)7-4-2-1-3-4/h2H,1,3H2/p+1
InChIKeyLIPKXYPCKFBQBX-UHFFFAOYSA-O
MW133.06 g/mol
LogP1.33
Rot. Bonds2

About cyclobuten-1-yloxy-hydroxy-oxophosphanium

cyclobuten-1-yloxy-hydroxy-oxophosphanium (PubChem CID 174566956) has the molecular formula C4H6O3P+ and a molecular weight of 133.06 g/mol. Its IUPAC name is cyclobuten-1-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namecyclobuten-1-yloxy-hydroxy-oxophosphanium
PubChem CID174566956
Molecular FormulaC4H6O3P+
Molecular Weight133.06 g/mol
Exact Mass133.00
IUPAC Namecyclobuten-1-yloxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC1=CCC1
InChIInChI=1S/C4H5O3P/c5-8(6)7-4-2-1-3-4/h2H,1,3H2/p+1
InChIKeyLIPKXYPCKFBQBX-UHFFFAOYSA-O
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.06
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 cyclobuten-1-yloxy-hydroxy-oxophosphanium?
The IUPAC name of cyclobuten-1-yloxy-hydroxy-oxophosphanium (CID 174566956) is cyclobuten-1-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for cyclobuten-1-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for cyclobuten-1-yloxy-hydroxy-oxophosphanium is O=[P+](O)OC1=CCC1.
What is the InChIKey of cyclobuten-1-yloxy-hydroxy-oxophosphanium?
The InChIKey is LIPKXYPCKFBQBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5O3P/c5-8(6)7-4-2-1-3-4/h2H,1,3H2/p+1.
What are the key properties of cyclobuten-1-yloxy-hydroxy-oxophosphanium?
cyclobuten-1-yloxy-hydroxy-oxophosphanium has a molecular weight of 133.06 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuten-1-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 174566956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).