methyl(trioctyl)phosphanium;phosphane;hydrobromide

C25H58BrP2+ — CID 174695100

IUPACmethyl(trioctyl)phosphanium;phosphane;hydrobromide
SMILESBr.CCCCCCCC[P+](C)(CCCCCCCC)CCCCCCCC.P
InChIInChI=1S/C25H54P.BrH.H3P/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;;/h5-25H2,1-4H3;1H;1H3/q+1;;
InChIKeyMVUDQGAUNADFJQ-UHFFFAOYSA-N
MW500.59 g/mol
LogP10.35
Rot. Bonds21

About methyl(trioctyl)phosphanium;phosphane;hydrobromide

methyl(trioctyl)phosphanium;phosphane;hydrobromide (PubChem CID 174695100) has the molecular formula C25H58BrP2+ and a molecular weight of 500.59 g/mol. Its IUPAC name is methyl(trioctyl)phosphanium;phosphane;hydrobromide.

Molecular Properties

Compound Namemethyl(trioctyl)phosphanium;phosphane;hydrobromide
PubChem CID174695100
Molecular FormulaC25H58BrP2+
Molecular Weight500.59 g/mol
Exact Mass499.32
IUPAC Namemethyl(trioctyl)phosphanium;phosphane;hydrobromide
SMILESBr.CCCCCCCC[P+](C)(CCCCCCCC)CCCCCCCC.P
InChIInChI=1S/C25H54P.BrH.H3P/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;;/h5-25H2,1-4H3;1H;1H3/q+1;;
InChIKeyMVUDQGAUNADFJQ-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 510.35
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

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acetic acid;methyl(trioctyl)phosphanium;phosphane
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dodecyl-diethyl-methylphosphanium bromide
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tributyl(methyl)phosphanium
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sulfuric acid;trihexyl(methyl)phosphanium
CID 118386562
tributyl(methyl)phosphanium iodide
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decyl-dimethyl-nonylphosphanium
CID 87732648
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CID 175008911
icosane;phosphane;hydrobromide
CID 172836983
trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
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Frequently Asked Questions

What is the IUPAC name of methyl(trioctyl)phosphanium;phosphane;hydrobromide?
The IUPAC name of methyl(trioctyl)phosphanium;phosphane;hydrobromide (CID 174695100) is methyl(trioctyl)phosphanium;phosphane;hydrobromide.
What is the SMILES notation for methyl(trioctyl)phosphanium;phosphane;hydrobromide?
The canonical SMILES for methyl(trioctyl)phosphanium;phosphane;hydrobromide is Br.CCCCCCCC[P+](C)(CCCCCCCC)CCCCCCCC.P.
What is the InChIKey of methyl(trioctyl)phosphanium;phosphane;hydrobromide?
The InChIKey is MVUDQGAUNADFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54P.BrH.H3P/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;;/h5-25H2,1-4H3;1H;1H3/q+1;;.
What are the key properties of methyl(trioctyl)phosphanium;phosphane;hydrobromide?
methyl(trioctyl)phosphanium;phosphane;hydrobromide has a molecular weight of 500.59 g/mol, XLogP of 10.35, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(trioctyl)phosphanium;phosphane;hydrobromide is sourced from PubChem (CID 174695100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).