tributyl(hex-5-ynyl)phosphanium bromide

C18H36BrP — CID 159212276

IUPACtributyl(hex-5-ynyl)phosphanium bromide
SMILESC#CCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C18H36P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h1H,6-18H2,2-4H3;1H/q+1;/p-1
InChIKeyKKEWIKRACIFYCT-UHFFFAOYSA-M
MW363.36 g/mol
LogP3.21
Rot. Bonds13

About tributyl(hex-5-ynyl)phosphanium bromide

tributyl(hex-5-ynyl)phosphanium bromide (PubChem CID 159212276) has the molecular formula C18H36BrP and a molecular weight of 363.36 g/mol. Its IUPAC name is tributyl(hex-5-ynyl)phosphanium bromide.

Molecular Properties

Compound Nametributyl(hex-5-ynyl)phosphanium bromide
PubChem CID159212276
Molecular FormulaC18H36BrP
Molecular Weight363.36 g/mol
Exact Mass362.17
IUPAC Nametributyl(hex-5-ynyl)phosphanium bromide
SMILESC#CCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C18H36P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h1H,6-18H2,2-4H3;1H/q+1;/p-1
InChIKeyKKEWIKRACIFYCT-UHFFFAOYSA-M
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(pentadecyl)phosphanium bromide
CID 86639781
oct-1-yne
CID 19597608
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
CID 172706336
CID 172706336
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
dibutyl(dipentyl)phosphanium iodide
CID 87778767
butyl(triheptyl)phosphanium
CID 87777247
tetrabutylphosphanium;tin(4+)
CID 160650774
2-hex-5-ynoxyhexane
CID 54235991
11-chlorohexadec-1-yne
CID 171573932
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922

Frequently Asked Questions

What is the IUPAC name of tributyl(hex-5-ynyl)phosphanium bromide?
The IUPAC name of tributyl(hex-5-ynyl)phosphanium bromide (CID 159212276) is tributyl(hex-5-ynyl)phosphanium bromide.
What is the SMILES notation for tributyl(hex-5-ynyl)phosphanium bromide?
The canonical SMILES for tributyl(hex-5-ynyl)phosphanium bromide is C#CCCCC[P+](CCCC)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(hex-5-ynyl)phosphanium bromide?
The InChIKey is KKEWIKRACIFYCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h1H,6-18H2,2-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(hex-5-ynyl)phosphanium bromide?
tributyl(hex-5-ynyl)phosphanium bromide has a molecular weight of 363.36 g/mol, XLogP of 3.21, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hex-5-ynyl)phosphanium bromide is sourced from PubChem (CID 159212276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).