ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide

C6H20IO3P2+ — CID 175282651

IUPACethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
SMILESCC[P+](C)(C)C.CP(=O)(O)O.I
InChIInChI=1S/C5H14P.CH5O3P.HI/c1-5-6(2,3)4;1-5(2,3)4;/h5H2,1-4H3;1H3,(H2,2,3,4);1H/q+1;;
InChIKeyFPXLUDQHVYWNTK-UHFFFAOYSA-N
MW329.08 g/mol
LogP2.33
Rot. Bonds1

About ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide

ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide (PubChem CID 175282651) has the molecular formula C6H20IO3P2+ and a molecular weight of 329.08 g/mol. Its IUPAC name is ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide.

Molecular Properties

Compound Nameethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
PubChem CID175282651
Molecular FormulaC6H20IO3P2+
Molecular Weight329.08 g/mol
Exact Mass328.99
IUPAC Nameethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
SMILESCC[P+](C)(C)C.CP(=O)(O)O.I
InChIInChI=1S/C5H14P.CH5O3P.HI/c1-5-6(2,3)4;1-5(2,3)4;/h5H2,1-4H3;1H3,(H2,2,3,4);1H/q+1;;
InChIKeyFPXLUDQHVYWNTK-UHFFFAOYSA-N
XLogP2.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.08
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylphosphorylpropan-1-ol
CID 59649408
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
methylphosphonic acid;dihydrochloride
CID 87344491
methylphosphonic acid;uranium
CID 174844261
methylphosphonic acid;trimethylphosphane;hydroiodide
CID 175283104
methylphosphonic acid;2-propan-2-ylsulfonylpropane
CID 87563498
sodium;carbanide;methylphosphonic acid
CID 157106296
bis(2-methylbutyl)phosphinic acid;propane
CID 160577161
bis(butan-2-yl(ethyl)phosphinic acid);iron
CID 157342521
[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
CID 140627932
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
1-hydroxypropylphosphonic acid
CID 12625401

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide?
The IUPAC name of ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide (CID 175282651) is ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide.
What is the SMILES notation for ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide?
The canonical SMILES for ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide is CC[P+](C)(C)C.CP(=O)(O)O.I.
What is the InChIKey of ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide?
The InChIKey is FPXLUDQHVYWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14P.CH5O3P.HI/c1-5-6(2,3)4;1-5(2,3)4;/h5H2,1-4H3;1H3,(H2,2,3,4);1H/q+1;;.
What are the key properties of ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide?
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide has a molecular weight of 329.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide is sourced from PubChem (CID 175282651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).