ditert-butyl(oxo)phosphanium

C8H18OP+ — CID 6328050

IUPACditert-butyl(oxo)phosphanium
SMILESCC(C)(C)[P+](=O)C(C)(C)C
InChIInChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1
InChIKeyQQSIRURWBGEHFS-UHFFFAOYSA-N
MW161.20 g/mol
LogP3.41
Rot. Bonds

About ditert-butyl(oxo)phosphanium

ditert-butyl(oxo)phosphanium (PubChem CID 6328050) has the molecular formula C8H18OP+ and a molecular weight of 161.20 g/mol. Its IUPAC name is ditert-butyl(oxo)phosphanium.

Molecular Properties

Compound Nameditert-butyl(oxo)phosphanium
PubChem CID6328050
Molecular FormulaC8H18OP+
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameditert-butyl(oxo)phosphanium
SMILESCC(C)(C)[P+](=O)C(C)(C)C
InChIInChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1
InChIKeyQQSIRURWBGEHFS-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 53.41
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 ditert-butyl(oxo)phosphanium?
The IUPAC name of ditert-butyl(oxo)phosphanium (CID 6328050) is ditert-butyl(oxo)phosphanium.
What is the SMILES notation for ditert-butyl(oxo)phosphanium?
The canonical SMILES for ditert-butyl(oxo)phosphanium is CC(C)(C)[P+](=O)C(C)(C)C.
What is the InChIKey of ditert-butyl(oxo)phosphanium?
The InChIKey is QQSIRURWBGEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1.
What are the key properties of ditert-butyl(oxo)phosphanium?
ditert-butyl(oxo)phosphanium has a molecular weight of 161.20 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(oxo)phosphanium is sourced from PubChem (CID 6328050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).