tributyl(4-oxobutyl)phosphanium

C16H34OP+ — CID 89178922

IUPACtributyl(4-oxobutyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC=O
InChIInChI=1S/C16H34OP/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17/h12H,4-11,13-16H2,1-3H3/q+1
InChIKeyCTPHXLVKMSGGHO-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.38
Rot. Bonds13

About tributyl(4-oxobutyl)phosphanium

tributyl(4-oxobutyl)phosphanium (PubChem CID 89178922) has the molecular formula C16H34OP+ and a molecular weight of 273.42 g/mol. Its IUPAC name is tributyl(4-oxobutyl)phosphanium.

Molecular Properties

Compound Nametributyl(4-oxobutyl)phosphanium
PubChem CID89178922
Molecular FormulaC16H34OP+
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nametributyl(4-oxobutyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC=O
InChIInChI=1S/C16H34OP/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17/h12H,4-11,13-16H2,1-3H3/q+1
InChIKeyCTPHXLVKMSGGHO-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(4-oxobutyl)phosphanium?
The IUPAC name of tributyl(4-oxobutyl)phosphanium (CID 89178922) is tributyl(4-oxobutyl)phosphanium.
What is the SMILES notation for tributyl(4-oxobutyl)phosphanium?
The canonical SMILES for tributyl(4-oxobutyl)phosphanium is CCCC[P+](CCCC)(CCCC)CCCC=O.
What is the InChIKey of tributyl(4-oxobutyl)phosphanium?
The InChIKey is CTPHXLVKMSGGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OP/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17/h12H,4-11,13-16H2,1-3H3/q+1.
What are the key properties of tributyl(4-oxobutyl)phosphanium?
tributyl(4-oxobutyl)phosphanium has a molecular weight of 273.42 g/mol, XLogP of 5.38, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4-oxobutyl)phosphanium is sourced from PubChem (CID 89178922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).