tritert-butylphosphanium

C12H28P+ — CID 4060964

IUPACtritert-butylphosphanium
SMILESCC(C)(C)[PH+](C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3/p+1
InChIKeyBWHDROKFUHTORW-UHFFFAOYSA-O
MW203.33 g/mol
LogP4.60
Rot. Bonds

About tritert-butylphosphanium

tritert-butylphosphanium (PubChem CID 4060964) has the molecular formula C12H28P+ and a molecular weight of 203.33 g/mol. Its IUPAC name is tritert-butylphosphanium.

Molecular Properties

Compound Nametritert-butylphosphanium
PubChem CID4060964
Molecular FormulaC12H28P+
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nametritert-butylphosphanium
SMILESCC(C)(C)[PH+](C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3/p+1
InChIKeyBWHDROKFUHTORW-UHFFFAOYSA-O
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.60
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-butylphosphanium?
The IUPAC name of tritert-butylphosphanium (CID 4060964) is tritert-butylphosphanium.
What is the SMILES notation for tritert-butylphosphanium?
The canonical SMILES for tritert-butylphosphanium is CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butylphosphanium?
The InChIKey is BWHDROKFUHTORW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3/p+1.
What are the key properties of tritert-butylphosphanium?
tritert-butylphosphanium has a molecular weight of 203.33 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butylphosphanium is sourced from PubChem (CID 4060964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).