tributyl(methyl)phosphanium

C13H30P+ — CID 2760115

IUPACtributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC
InChIInChI=1S/C13H30P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1
InChIKeyXKFPGUWSSPXXMF-UHFFFAOYSA-N
MW217.36 g/mol
LogP5.03
Rot. Bonds9

About tributyl(methyl)phosphanium

tributyl(methyl)phosphanium (PubChem CID 2760115) has the molecular formula C13H30P+ and a molecular weight of 217.36 g/mol. Its IUPAC name is tributyl(methyl)phosphanium.

Molecular Properties

Compound Nametributyl(methyl)phosphanium
PubChem CID2760115
Molecular FormulaC13H30P+
Molecular Weight217.36 g/mol
Exact Mass217.21
IUPAC Nametributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC
InChIInChI=1S/C13H30P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1
InChIKeyXKFPGUWSSPXXMF-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500217.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(methyl)phosphanium iodide
CID 2760114
dibutyl-ethyl-methylphosphanium
CID 58444360
tributyl(methyl)phosphanium iodate
CID 158924304
triheptyl(methyl)phosphanium
CID 87447401
trihexadecyl(methyl)phosphanium
CID 22750516
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
methyl(trioctyl)phosphanium;phosphane;hydrobromide
CID 174695100
tributyl(methyl)phosphanium;tributyl(octyl)phosphanium;triethyl(octyl)phosphanium
CID 175008911
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
dodecyl-diethyl-methylphosphanium bromide
CID 162058265

Frequently Asked Questions

What is the IUPAC name of tributyl(methyl)phosphanium?
The IUPAC name of tributyl(methyl)phosphanium (CID 2760115) is tributyl(methyl)phosphanium.
What is the SMILES notation for tributyl(methyl)phosphanium?
The canonical SMILES for tributyl(methyl)phosphanium is CCCC[P+](C)(CCCC)CCCC.
What is the InChIKey of tributyl(methyl)phosphanium?
The InChIKey is XKFPGUWSSPXXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1.
What are the key properties of tributyl(methyl)phosphanium?
tributyl(methyl)phosphanium has a molecular weight of 217.36 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(methyl)phosphanium is sourced from PubChem (CID 2760115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).