tert-butyl(trihydroxy)phosphanium

C4H12O3P+ — CID 57170449

IUPACtert-butyl(trihydroxy)phosphanium
SMILESCC(C)(C)[P+](O)(O)O
InChIInChI=1S/C4H12O3P/c1-4(2,3)8(5,6)7/h5-7H,1-3H3/q+1
InChIKeyVUOHKOOTLYVILS-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.52
Rot. Bonds

About tert-butyl(trihydroxy)phosphanium

tert-butyl(trihydroxy)phosphanium (PubChem CID 57170449) has the molecular formula C4H12O3P+ and a molecular weight of 139.11 g/mol. Its IUPAC name is tert-butyl(trihydroxy)phosphanium.

Molecular Properties

Compound Nametert-butyl(trihydroxy)phosphanium
PubChem CID57170449
Molecular FormulaC4H12O3P+
Molecular Weight139.11 g/mol
Exact Mass139.05
IUPAC Nametert-butyl(trihydroxy)phosphanium
SMILESCC(C)(C)[P+](O)(O)O
InChIInChI=1S/C4H12O3P/c1-4(2,3)8(5,6)7/h5-7H,1-3H3/q+1
InChIKeyVUOHKOOTLYVILS-UHFFFAOYSA-N
XLogP0.52
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(trihydroxy)phosphanium?
The IUPAC name of tert-butyl(trihydroxy)phosphanium (CID 57170449) is tert-butyl(trihydroxy)phosphanium.
What is the SMILES notation for tert-butyl(trihydroxy)phosphanium?
The canonical SMILES for tert-butyl(trihydroxy)phosphanium is CC(C)(C)[P+](O)(O)O.
What is the InChIKey of tert-butyl(trihydroxy)phosphanium?
The InChIKey is VUOHKOOTLYVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3P/c1-4(2,3)8(5,6)7/h5-7H,1-3H3/q+1.
What are the key properties of tert-butyl(trihydroxy)phosphanium?
tert-butyl(trihydroxy)phosphanium has a molecular weight of 139.11 g/mol, XLogP of 0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(trihydroxy)phosphanium is sourced from PubChem (CID 57170449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).