potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride

C24H29ClKO2P — CID 161224335

IUPACpotassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride
SMILESCC(C)(C)[O-].COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[K+]
InChIInChI=1S/C20H20OP.C4H9O.ClH.K/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-4(2,3)5;;/h2-16H,17H2,1H3;1-3H3;1H;/q+1;-1;;+1/p-1
InChIKeyBTWVSDHFTIYPRM-UHFFFAOYSA-M
MW455.02 g/mol
LogP-2.26
Rot. Bonds5

About potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride

potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride (PubChem CID 161224335) has the molecular formula C24H29ClKO2P and a molecular weight of 455.02 g/mol. Its IUPAC name is potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride.

Molecular Properties

Compound Namepotassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride
PubChem CID161224335
Molecular FormulaC24H29ClKO2P
Molecular Weight455.02 g/mol
Exact Mass454.12
IUPAC Namepotassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride
SMILESCC(C)(C)[O-].COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[K+]
InChIInChI=1S/C20H20OP.C4H9O.ClH.K/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-4(2,3)5;;/h2-16H,17H2,1H3;1-3H3;1H;/q+1;-1;;+1/p-1
InChIKeyBTWVSDHFTIYPRM-UHFFFAOYSA-M
XLogP-2.26
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.02
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methoxymethyl(triphenyl)phosphanium;hydrate
CID 87989481
triphenyl(propan-2-yloxymethyl)phosphanium chloride
CID 172782350
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
potassium;2-methoxy-5-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)pyridine;methoxymethyl(triphenyl)phosphanium;6-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde;2-methylpropan-2-olate;oxolane;chloride
CID 159370000
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triphenyl(phenylmethoxymethyl)phosphanium bromide
CID 87779262

Frequently Asked Questions

What is the IUPAC name of potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride?
The IUPAC name of potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride (CID 161224335) is potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride.
What is the SMILES notation for potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride?
The canonical SMILES for potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride is CC(C)(C)[O-].COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[K+].
What is the InChIKey of potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride?
The InChIKey is BTWVSDHFTIYPRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20OP.C4H9O.ClH.K/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-4(2,3)5;;/h2-16H,17H2,1H3;1-3H3;1H;/q+1;-1;;+1/p-1.
What are the key properties of potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride?
potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride has a molecular weight of 455.02 g/mol, XLogP of -2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride is sourced from PubChem (CID 161224335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).