(2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine

C6H10AtOP — CID 144561050

IUPAC(2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine
SMILESO=C(C(P)[At])C1CCC1
InChIInChI=1S/C6H10AtOP/c7-6(9)5(8)4-2-1-3-4/h4,6H,1-3,9H2
InChIKeyHYJJPRVZAFZHSX-UHFFFAOYSA-N
MW339.12 g/mol
LogP1.11
Rot. Bonds2

About (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine

(2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine (PubChem CID 144561050) has the molecular formula C6H10AtOP and a molecular weight of 339.12 g/mol. Its IUPAC name is (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine.

Molecular Properties

Compound Name(2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine
PubChem CID144561050
Molecular FormulaC6H10AtOP
Molecular Weight339.12 g/mol
Exact Mass339.03
IUPAC Name(2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine
SMILESO=C(C(P)[At])C1CCC1
InChIInChI=1S/C6H10AtOP/c7-6(9)5(8)4-2-1-3-4/h4,6H,1-3,9H2
InChIKeyHYJJPRVZAFZHSX-UHFFFAOYSA-N
XLogP1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine?
The IUPAC name of (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine (CID 144561050) is (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine.
What is the SMILES notation for (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine?
The canonical SMILES for (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine is O=C(C(P)[At])C1CCC1.
What is the InChIKey of (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine?
The InChIKey is HYJJPRVZAFZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10AtOP/c7-6(9)5(8)4-2-1-3-4/h4,6H,1-3,9H2.
What are the key properties of (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine?
(2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine has a molecular weight of 339.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-2-oxo-1-phosphanylethyl)astatine is sourced from PubChem (CID 144561050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).