tributyl(3-methylbut-2-enyl)phosphanium bromide

C17H36BrP — CID 25023490

IUPACtributyl(3-methylbut-2-enyl)phosphanium bromide
SMILESCCCC[P+](CC=C(C)C)(CCCC)CCCC.[Br-]
InChIInChI=1S/C17H36P.BrH/c1-6-9-13-18(14-10-7-2,15-11-8-3)16-12-17(4)5;/h12H,6-11,13-16H2,1-5H3;1H/q+1;/p-1
InChIKeyDJTAOZAFWGEVEA-UHFFFAOYSA-M
MW351.35 g/mol
LogP3.37
Rot. Bonds11

About tributyl(3-methylbut-2-enyl)phosphanium bromide

tributyl(3-methylbut-2-enyl)phosphanium bromide (PubChem CID 25023490) has the molecular formula C17H36BrP and a molecular weight of 351.35 g/mol. Its IUPAC name is tributyl(3-methylbut-2-enyl)phosphanium bromide.

Molecular Properties

Compound Nametributyl(3-methylbut-2-enyl)phosphanium bromide
PubChem CID25023490
Molecular FormulaC17H36BrP
Molecular Weight351.35 g/mol
Exact Mass350.17
IUPAC Nametributyl(3-methylbut-2-enyl)phosphanium bromide
SMILESCCCC[P+](CC=C(C)C)(CCCC)CCCC.[Br-]
InChIInChI=1S/C17H36P.BrH/c1-6-9-13-18(14-10-7-2,15-11-8-3)16-12-17(4)5;/h12H,6-11,13-16H2,1-5H3;1H/q+1;/p-1
InChIKeyDJTAOZAFWGEVEA-UHFFFAOYSA-M
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.37
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

(4-bromo-3-chlorobut-2-enyl)-tributylphosphanium bromide
CID 71402851
tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium
CID 162403304
tributyl-[(2E,4E)-6-tributylphosphaniumylhexa-2,4-dienyl]phosphanium dibromide
CID 87718023
but-2-enyl(tributyl)phosphanium
CID 76527519
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(pentadecyl)phosphanium bromide
CID 86639781
7-methyl-3-pentyloct-6-enal
CID 21430179
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
CID 15717608
5-ethenyl-2-methyldodec-2-ene
CID 134980281

Frequently Asked Questions

What is the IUPAC name of tributyl(3-methylbut-2-enyl)phosphanium bromide?
The IUPAC name of tributyl(3-methylbut-2-enyl)phosphanium bromide (CID 25023490) is tributyl(3-methylbut-2-enyl)phosphanium bromide.
What is the SMILES notation for tributyl(3-methylbut-2-enyl)phosphanium bromide?
The canonical SMILES for tributyl(3-methylbut-2-enyl)phosphanium bromide is CCCC[P+](CC=C(C)C)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(3-methylbut-2-enyl)phosphanium bromide?
The InChIKey is DJTAOZAFWGEVEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H36P.BrH/c1-6-9-13-18(14-10-7-2,15-11-8-3)16-12-17(4)5;/h12H,6-11,13-16H2,1-5H3;1H/q+1;/p-1.
What are the key properties of tributyl(3-methylbut-2-enyl)phosphanium bromide?
tributyl(3-methylbut-2-enyl)phosphanium bromide has a molecular weight of 351.35 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-methylbut-2-enyl)phosphanium bromide is sourced from PubChem (CID 25023490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).