tritert-butyl(chloro)phosphanium

C12H27ClP+ — CID 15830230

IUPACtritert-butyl(chloro)phosphanium
SMILESCC(C)(C)[P+](Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27ClP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3/q+1
InChIKeyCSCDJCUSTOPMQF-UHFFFAOYSA-N
MW237.77 g/mol
LogP5.55
Rot. Bonds

About tritert-butyl(chloro)phosphanium

tritert-butyl(chloro)phosphanium (PubChem CID 15830230) has the molecular formula C12H27ClP+ and a molecular weight of 237.77 g/mol. Its IUPAC name is tritert-butyl(chloro)phosphanium.

Molecular Properties

Compound Nametritert-butyl(chloro)phosphanium
PubChem CID15830230
Molecular FormulaC12H27ClP+
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Nametritert-butyl(chloro)phosphanium
SMILESCC(C)(C)[P+](Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27ClP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3/q+1
InChIKeyCSCDJCUSTOPMQF-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.77
LogP ≤ 55.55
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 tritert-butyl(chloro)phosphanium?
The IUPAC name of tritert-butyl(chloro)phosphanium (CID 15830230) is tritert-butyl(chloro)phosphanium.
What is the SMILES notation for tritert-butyl(chloro)phosphanium?
The canonical SMILES for tritert-butyl(chloro)phosphanium is CC(C)(C)[P+](Cl)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl(chloro)phosphanium?
The InChIKey is CSCDJCUSTOPMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClP/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3/q+1.
What are the key properties of tritert-butyl(chloro)phosphanium?
tritert-butyl(chloro)phosphanium has a molecular weight of 237.77 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(chloro)phosphanium is sourced from PubChem (CID 15830230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).