tributyl(3-oxobutyl)phosphanium

C16H34OP+ — CID 102322083

IUPACtributyl(3-oxobutyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCC(C)=O
InChIInChI=1S/C16H34OP/c1-5-8-12-18(13-9-6-2,14-10-7-3)15-11-16(4)17/h5-15H2,1-4H3/q+1
InChIKeyQWUPTPTYONEFRH-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.38
Rot. Bonds12

About tributyl(3-oxobutyl)phosphanium

tributyl(3-oxobutyl)phosphanium (PubChem CID 102322083) has the molecular formula C16H34OP+ and a molecular weight of 273.42 g/mol. Its IUPAC name is tributyl(3-oxobutyl)phosphanium.

Molecular Properties

Compound Nametributyl(3-oxobutyl)phosphanium
PubChem CID102322083
Molecular FormulaC16H34OP+
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nametributyl(3-oxobutyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCC(C)=O
InChIInChI=1S/C16H34OP/c1-5-8-12-18(13-9-6-2,14-10-7-3)15-11-16(4)17/h5-15H2,1-4H3/q+1
InChIKeyQWUPTPTYONEFRH-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
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': 'phosphor', 'substructure': 'N/A'}

Analyze tributyl(3-oxobutyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propanedioic acid;tetrabutylphosphanium
CID 87768954
hydrogen carbonate;bis(tetrabutylphosphanium)
CID 139200490
phosphanium;acetic acid;tetrabutylphosphanium;diacetate
CID 159655979
tetrabutylphosphanium;tin(4+)
CID 160650774
13-hydroxyheptadecan-2-one
CID 164804784
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
acetic acid;(2R)-hexan-2-ol;hexan-2-one
CID 118050364
decan-2-one
CID 12741
hexan-2-one;molecular nitrogen
CID 174442577
octadecakis(hexane);nonan-2-one
CID 173226284

Frequently Asked Questions

What is the IUPAC name of tributyl(3-oxobutyl)phosphanium?
The IUPAC name of tributyl(3-oxobutyl)phosphanium (CID 102322083) is tributyl(3-oxobutyl)phosphanium.
What is the SMILES notation for tributyl(3-oxobutyl)phosphanium?
The canonical SMILES for tributyl(3-oxobutyl)phosphanium is CCCC[P+](CCCC)(CCCC)CCC(C)=O.
What is the InChIKey of tributyl(3-oxobutyl)phosphanium?
The InChIKey is QWUPTPTYONEFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OP/c1-5-8-12-18(13-9-6-2,14-10-7-3)15-11-16(4)17/h5-15H2,1-4H3/q+1.
What are the key properties of tributyl(3-oxobutyl)phosphanium?
tributyl(3-oxobutyl)phosphanium has a molecular weight of 273.42 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-oxobutyl)phosphanium is sourced from PubChem (CID 102322083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).