di(cyclobuten-1-yloxy)-oxophosphanium

C8H10O3P+ — CID 174912447

IUPACdi(cyclobuten-1-yloxy)-oxophosphanium
SMILESO=[P+](OC1=CCC1)OC1=CCC1
InChIInChI=1S/C8H10O3P/c9-12(10-7-3-1-4-7)11-8-5-2-6-8/h3,5H,1-2,4,6H2/q+1
InChIKeyBMLIXZRROYATAJ-UHFFFAOYSA-N
MW185.14 g/mol
LogP3.03
Rot. Bonds4

About di(cyclobuten-1-yloxy)-oxophosphanium

di(cyclobuten-1-yloxy)-oxophosphanium (PubChem CID 174912447) has the molecular formula C8H10O3P+ and a molecular weight of 185.14 g/mol. Its IUPAC name is di(cyclobuten-1-yloxy)-oxophosphanium.

Molecular Properties

Compound Namedi(cyclobuten-1-yloxy)-oxophosphanium
PubChem CID174912447
Molecular FormulaC8H10O3P+
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Namedi(cyclobuten-1-yloxy)-oxophosphanium
SMILESO=[P+](OC1=CCC1)OC1=CCC1
InChIInChI=1S/C8H10O3P/c9-12(10-7-3-1-4-7)11-8-5-2-6-8/h3,5H,1-2,4,6H2/q+1
InChIKeyBMLIXZRROYATAJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 53.03
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 di(cyclobuten-1-yloxy)-oxophosphanium?
The IUPAC name of di(cyclobuten-1-yloxy)-oxophosphanium (CID 174912447) is di(cyclobuten-1-yloxy)-oxophosphanium.
What is the SMILES notation for di(cyclobuten-1-yloxy)-oxophosphanium?
The canonical SMILES for di(cyclobuten-1-yloxy)-oxophosphanium is O=[P+](OC1=CCC1)OC1=CCC1.
What is the InChIKey of di(cyclobuten-1-yloxy)-oxophosphanium?
The InChIKey is BMLIXZRROYATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3P/c9-12(10-7-3-1-4-7)11-8-5-2-6-8/h3,5H,1-2,4,6H2/q+1.
What are the key properties of di(cyclobuten-1-yloxy)-oxophosphanium?
di(cyclobuten-1-yloxy)-oxophosphanium has a molecular weight of 185.14 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobuten-1-yloxy)-oxophosphanium is sourced from PubChem (CID 174912447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).