tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium

C15H32P+ — CID 171395258

IUPACtributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium
SMILES[2H]C([2H])=C([2H])C([2H])([2H])[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H32P/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3/q+1/i4D2,8D,12D2
InChIKeyFCUPWNWJWSFDMX-QWSOAIBPSA-N
MW248.43 g/mol
LogP5.59
Rot. Bonds11

About tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium

tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium (PubChem CID 171395258) has the molecular formula C15H32P+ and a molecular weight of 248.43 g/mol. Its IUPAC name is tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium.

Molecular Properties

Compound Nametributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium
PubChem CID171395258
Molecular FormulaC15H32P+
Molecular Weight248.43 g/mol
Exact Mass248.25
IUPAC Nametributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium
SMILES[2H]C([2H])=C([2H])C([2H])([2H])[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H32P/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3/q+1/i4D2,8D,12D2
InChIKeyFCUPWNWJWSFDMX-QWSOAIBPSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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tetrabutylphosphanium;fluoride;dihydrofluoride
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tributyl(9-tributylphosphaniumylnonyl)phosphanium
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tributyl(tridecyl)phosphanium
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tributyl(icosyl)phosphanium
CID 23086982
CID 172776718
CID 172776718
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium?
The IUPAC name of tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium (CID 171395258) is tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium.
What is the SMILES notation for tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium?
The canonical SMILES for tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium is [2H]C([2H])=C([2H])C([2H])([2H])[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium?
The InChIKey is FCUPWNWJWSFDMX-QWSOAIBPSA-N. The full InChI is InChI=1S/C15H32P/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3/q+1/i4D2,8D,12D2.
What are the key properties of tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium?
tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium has a molecular weight of 248.43 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1,1,2,3,3-pentadeuterioprop-2-enyl)phosphanium is sourced from PubChem (CID 171395258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).