hexyl(trimethyl)phosphanium bromide

C9H22BrP — CID 87777909

IUPAChexyl(trimethyl)phosphanium bromide
SMILESCCCCCC[P+](C)(C)C.[Br-]
InChIInChI=1S/C9H22P.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyZHROBNMRFGTFET-UHFFFAOYSA-M
MW241.15 g/mol
LogP0.48
Rot. Bonds5

About hexyl(trimethyl)phosphanium bromide

hexyl(trimethyl)phosphanium bromide (PubChem CID 87777909) has the molecular formula C9H22BrP and a molecular weight of 241.15 g/mol. Its IUPAC name is hexyl(trimethyl)phosphanium bromide.

Molecular Properties

Compound Namehexyl(trimethyl)phosphanium bromide
PubChem CID87777909
Molecular FormulaC9H22BrP
Molecular Weight241.15 g/mol
Exact Mass240.06
IUPAC Namehexyl(trimethyl)phosphanium bromide
SMILESCCCCCC[P+](C)(C)C.[Br-]
InChIInChI=1S/C9H22P.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyZHROBNMRFGTFET-UHFFFAOYSA-M
XLogP0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 50.48
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'}

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Related Compounds

heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
CID 157055900
henicosyl(trimethyl)phosphanium chloride
CID 118223391
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
cyanamide;trimethyl(octyl)phosphanium
CID 87573111
decyl-dimethyl-nonylphosphanium
CID 87732648
dodecyl-diethyl-methylphosphanium bromide
CID 162058265
hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401

Frequently Asked Questions

What is the IUPAC name of hexyl(trimethyl)phosphanium bromide?
The IUPAC name of hexyl(trimethyl)phosphanium bromide (CID 87777909) is hexyl(trimethyl)phosphanium bromide.
What is the SMILES notation for hexyl(trimethyl)phosphanium bromide?
The canonical SMILES for hexyl(trimethyl)phosphanium bromide is CCCCCC[P+](C)(C)C.[Br-].
What is the InChIKey of hexyl(trimethyl)phosphanium bromide?
The InChIKey is ZHROBNMRFGTFET-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22P.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexyl(trimethyl)phosphanium bromide?
hexyl(trimethyl)phosphanium bromide has a molecular weight of 241.15 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trimethyl)phosphanium bromide is sourced from PubChem (CID 87777909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).