hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium

C7H18O3P+ — CID 123564196

IUPAChydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium
SMILESCOCC(C)CO[P+](C)(C)O
InChIInChI=1S/C7H18O3P/c1-7(5-9-2)6-10-11(3,4)8/h7-8H,5-6H2,1-4H3/q+1
InChIKeyKOJPLKZAOKZORY-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.38
Rot. Bonds5

About hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium

hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium (PubChem CID 123564196) has the molecular formula C7H18O3P+ and a molecular weight of 181.19 g/mol. Its IUPAC name is hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium.

Molecular Properties

Compound Namehydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium
PubChem CID123564196
Molecular FormulaC7H18O3P+
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Namehydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium
SMILESCOCC(C)CO[P+](C)(C)O
InChIInChI=1S/C7H18O3P/c1-7(5-9-2)6-10-11(3,4)8/h7-8H,5-6H2,1-4H3/q+1
InChIKeyKOJPLKZAOKZORY-UHFFFAOYSA-N
XLogP1.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl(2-methylpropoxy)phosphinous acid
CID 54363681
2-Methylpropoxy(propan-2-yl)phosphinous acid
CID 54460276
1-Dimethylphosphoryloxy-3-methoxy-2-methylpropane
CID 88542559
(2S)-1-dimethylphosphoryloxy-3-methoxy-2-methylpropane
CID 88542872
Dihydroxy-methyl-(2-methylpropoxy)phosphanium
CID 88713877
Hydroxy-methyl-bis(2-methylpropoxy)phosphanium
CID 89817795
[3-Methoxy-2-(methoxymethyl)propoxy]-methylphosphinic acid
CID 89878562
Ethoxy-dihydroxy-(2-methylpropyl)phosphanium
CID 163207468
Ethoxy-hydroxy-methoxy-(2-methylpropyl)phosphanium
CID 167152965
2,2-Dimethylpropoxy-hydroxy-methyl-methylidene-lambda5-phosphane
CID 165051197

Frequently Asked Questions

What is the IUPAC name of hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium?
The IUPAC name of hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium (CID 123564196) is hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium.
What is the SMILES notation for hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium?
The canonical SMILES for hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium is COCC(C)CO[P+](C)(C)O.
What is the InChIKey of hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium?
The InChIKey is KOJPLKZAOKZORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3P/c1-7(5-9-2)6-10-11(3,4)8/h7-8H,5-6H2,1-4H3/q+1.
What are the key properties of hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium?
hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium has a molecular weight of 181.19 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium is sourced from PubChem (CID 123564196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).