tributyl(methyl)phosphanium iodide

C13H30IP — CID 2760114

IUPACtributyl(methyl)phosphanium iodide
SMILESCCCC[P+](C)(CCCC)CCCC.[I-]
InChIInChI=1S/C13H30P.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyRLZMYANQLOCZOB-UHFFFAOYSA-M
MW344.26 g/mol
LogP2.04
Rot. Bonds9

About tributyl(methyl)phosphanium iodide

tributyl(methyl)phosphanium iodide (PubChem CID 2760114) has the molecular formula C13H30IP and a molecular weight of 344.26 g/mol. Its IUPAC name is tributyl(methyl)phosphanium iodide.

Molecular Properties

Compound Nametributyl(methyl)phosphanium iodide
PubChem CID2760114
Molecular FormulaC13H30IP
Molecular Weight344.26 g/mol
Exact Mass344.11
IUPAC Nametributyl(methyl)phosphanium iodide
SMILESCCCC[P+](C)(CCCC)CCCC.[I-]
InChIInChI=1S/C13H30P.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyRLZMYANQLOCZOB-UHFFFAOYSA-M
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(methyl)phosphanium
CID 2760115
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 iodide?
The IUPAC name of tributyl(methyl)phosphanium iodide (CID 2760114) is tributyl(methyl)phosphanium iodide.
What is the SMILES notation for tributyl(methyl)phosphanium iodide?
The canonical SMILES for tributyl(methyl)phosphanium iodide is CCCC[P+](C)(CCCC)CCCC.[I-].
What is the InChIKey of tributyl(methyl)phosphanium iodide?
The InChIKey is RLZMYANQLOCZOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30P.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(methyl)phosphanium iodide?
tributyl(methyl)phosphanium iodide has a molecular weight of 344.26 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(methyl)phosphanium iodide is sourced from PubChem (CID 2760114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).