tributyl(methyl)phosphanium iodate

C13H30IO3P — CID 158924304

IUPACtributyl(methyl)phosphanium iodate
SMILESCCCC[P+](C)(CCCC)CCCC.[O-][I+2]([O-])[O-]
InChIInChI=1S/C13H30P.IO3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3)4/h5-13H2,1-4H3;/q+1;-1
InChIKeyJIFSKEFDTXXXRU-UHFFFAOYSA-N
MW392.26 g/mol
LogP-1.53
Rot. Bonds9

About tributyl(methyl)phosphanium iodate

tributyl(methyl)phosphanium iodate (PubChem CID 158924304) has the molecular formula C13H30IO3P and a molecular weight of 392.26 g/mol. Its IUPAC name is tributyl(methyl)phosphanium iodate.

Molecular Properties

Compound Nametributyl(methyl)phosphanium iodate
PubChem CID158924304
Molecular FormulaC13H30IO3P
Molecular Weight392.26 g/mol
Exact Mass392.10
IUPAC Nametributyl(methyl)phosphanium iodate
SMILESCCCC[P+](C)(CCCC)CCCC.[O-][I+2]([O-])[O-]
InChIInChI=1S/C13H30P.IO3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3)4/h5-13H2,1-4H3;/q+1;-1
InChIKeyJIFSKEFDTXXXRU-UHFFFAOYSA-N
XLogP-1.53
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 iodide
CID 2760114
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
tributyl(methyl)phosphanium;tributyl(octyl)phosphanium;triethyl(octyl)phosphanium
CID 175008911
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
methyl(trioctyl)phosphanium;phosphane;hydrobromide
CID 174695100
dodecyl-diethyl-methylphosphanium bromide
CID 162058265
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
cobalt;3-methanidylheptane
CID 154097431
lithium hexan-2-olate
CID 141423009

Frequently Asked Questions

What is the IUPAC name of tributyl(methyl)phosphanium iodate?
The IUPAC name of tributyl(methyl)phosphanium iodate (CID 158924304) is tributyl(methyl)phosphanium iodate.
What is the SMILES notation for tributyl(methyl)phosphanium iodate?
The canonical SMILES for tributyl(methyl)phosphanium iodate is CCCC[P+](C)(CCCC)CCCC.[O-][I+2]([O-])[O-].
What is the InChIKey of tributyl(methyl)phosphanium iodate?
The InChIKey is JIFSKEFDTXXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P.IO3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3)4/h5-13H2,1-4H3;/q+1;-1.
What are the key properties of tributyl(methyl)phosphanium iodate?
tributyl(methyl)phosphanium iodate has a molecular weight of 392.26 g/mol, XLogP of -1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(methyl)phosphanium iodate is sourced from PubChem (CID 158924304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).