boranuide;tributyl(propan-2-yl)phosphanium

C15H38BP — CID 173279797

IUPACboranuide;tributyl(propan-2-yl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(C)C.[BH4-]
InChIInChI=1S/C15H34P.BH4/c1-6-9-12-16(15(4)5,13-10-7-2)14-11-8-3;/h15H,6-14H2,1-5H3;1H4/q+1;-1
InChIKeyLJXQTPBPOGNJNJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP4.36
Rot. Bonds10

About boranuide;tributyl(propan-2-yl)phosphanium

boranuide;tributyl(propan-2-yl)phosphanium (PubChem CID 173279797) has the molecular formula C15H38BP and a molecular weight of 260.25 g/mol. Its IUPAC name is boranuide;tributyl(propan-2-yl)phosphanium.

Molecular Properties

Compound Nameboranuide;tributyl(propan-2-yl)phosphanium
PubChem CID173279797
Molecular FormulaC15H38BP
Molecular Weight260.25 g/mol
Exact Mass260.28
IUPAC Nameboranuide;tributyl(propan-2-yl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(C)C.[BH4-]
InChIInChI=1S/C15H34P.BH4/c1-6-9-12-16(15(4)5,13-10-7-2)14-11-8-3;/h15H,6-14H2,1-5H3;1H4/q+1;-1
InChIKeyLJXQTPBPOGNJNJ-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boranuide;tributyl(propan-2-yl)phosphanium?
The IUPAC name of boranuide;tributyl(propan-2-yl)phosphanium (CID 173279797) is boranuide;tributyl(propan-2-yl)phosphanium.
What is the SMILES notation for boranuide;tributyl(propan-2-yl)phosphanium?
The canonical SMILES for boranuide;tributyl(propan-2-yl)phosphanium is CCCC[P+](CCCC)(CCCC)C(C)C.[BH4-].
What is the InChIKey of boranuide;tributyl(propan-2-yl)phosphanium?
The InChIKey is LJXQTPBPOGNJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34P.BH4/c1-6-9-12-16(15(4)5,13-10-7-2)14-11-8-3;/h15H,6-14H2,1-5H3;1H4/q+1;-1.
What are the key properties of boranuide;tributyl(propan-2-yl)phosphanium?
boranuide;tributyl(propan-2-yl)phosphanium has a molecular weight of 260.25 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;tributyl(propan-2-yl)phosphanium is sourced from PubChem (CID 173279797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).