bromo(tritert-butyl)phosphanium

C12H27BrP+ — CID 23414011

IUPACbromo(tritert-butyl)phosphanium
SMILESCC(C)(C)[P+](Br)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27BrP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3/q+1
InChIKeyLYSRMRZTKIEQCZ-UHFFFAOYSA-N
MW282.23 g/mol
LogP5.71
Rot. Bonds

About bromo(tritert-butyl)phosphanium

bromo(tritert-butyl)phosphanium (PubChem CID 23414011) has the molecular formula C12H27BrP+ and a molecular weight of 282.23 g/mol. Its IUPAC name is bromo(tritert-butyl)phosphanium.

Molecular Properties

Compound Namebromo(tritert-butyl)phosphanium
PubChem CID23414011
Molecular FormulaC12H27BrP+
Molecular Weight282.23 g/mol
Exact Mass281.10
IUPAC Namebromo(tritert-butyl)phosphanium
SMILESCC(C)(C)[P+](Br)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27BrP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3/q+1
InChIKeyLYSRMRZTKIEQCZ-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.23
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(tritert-butyl)phosphanium?
The IUPAC name of bromo(tritert-butyl)phosphanium (CID 23414011) is bromo(tritert-butyl)phosphanium.
What is the SMILES notation for bromo(tritert-butyl)phosphanium?
The canonical SMILES for bromo(tritert-butyl)phosphanium is CC(C)(C)[P+](Br)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of bromo(tritert-butyl)phosphanium?
The InChIKey is LYSRMRZTKIEQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3/q+1.
What are the key properties of bromo(tritert-butyl)phosphanium?
bromo(tritert-butyl)phosphanium has a molecular weight of 282.23 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(tritert-butyl)phosphanium is sourced from PubChem (CID 23414011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).