tributyl(ethenyl)phosphanium

C14H30P+ — CID 11055973

IUPACtributyl(ethenyl)phosphanium
SMILESC=C[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H30P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h8H,4-7,9-14H2,1-3H3/q+1
InChIKeyYKPMGWJWLBUEKT-UHFFFAOYSA-N
MW229.37 g/mol
LogP5.55
Rot. Bonds10

About tributyl(ethenyl)phosphanium

tributyl(ethenyl)phosphanium (PubChem CID 11055973) has the molecular formula C14H30P+ and a molecular weight of 229.37 g/mol. Its IUPAC name is tributyl(ethenyl)phosphanium.

Molecular Properties

Compound Nametributyl(ethenyl)phosphanium
PubChem CID11055973
Molecular FormulaC14H30P+
Molecular Weight229.37 g/mol
Exact Mass229.21
IUPAC Nametributyl(ethenyl)phosphanium
SMILESC=C[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H30P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h8H,4-7,9-14H2,1-3H3/q+1
InChIKeyYKPMGWJWLBUEKT-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(ethenyl)phosphanium?
The IUPAC name of tributyl(ethenyl)phosphanium (CID 11055973) is tributyl(ethenyl)phosphanium.
What is the SMILES notation for tributyl(ethenyl)phosphanium?
The canonical SMILES for tributyl(ethenyl)phosphanium is C=C[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(ethenyl)phosphanium?
The InChIKey is YKPMGWJWLBUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h8H,4-7,9-14H2,1-3H3/q+1.
What are the key properties of tributyl(ethenyl)phosphanium?
tributyl(ethenyl)phosphanium has a molecular weight of 229.37 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(ethenyl)phosphanium is sourced from PubChem (CID 11055973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).