methyl(2,2,3-trimethylbutyl)phosphinic acid

C8H19O2P — CID 54072016

IUPACmethyl(2,2,3-trimethylbutyl)phosphinic acid
SMILESCC(C)C(C)(C)CP(C)(=O)O
InChIInChI=1S/C8H19O2P/c1-7(2)8(3,4)6-11(5,9)10/h7H,6H2,1-5H3,(H,9,10)
InChIKeyOITQXPCIYOGGTB-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.57
Rot. Bonds3

About methyl(2,2,3-trimethylbutyl)phosphinic acid

methyl(2,2,3-trimethylbutyl)phosphinic acid (PubChem CID 54072016) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is methyl(2,2,3-trimethylbutyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(2,2,3-trimethylbutyl)phosphinic acid
PubChem CID54072016
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Namemethyl(2,2,3-trimethylbutyl)phosphinic acid
SMILESCC(C)C(C)(C)CP(C)(=O)O
InChIInChI=1S/C8H19O2P/c1-7(2)8(3,4)6-11(5,9)10/h7H,6H2,1-5H3,(H,9,10)
InChIKeyOITQXPCIYOGGTB-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryl-3-methylbutan-2-ol
CID 22957307
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
sodium;carbanide;methylphosphonic acid
CID 157106296
(3-ethyl-2-methylpentan-3-yl)phosphonic acid
CID 71437145
2-(2,2,3-trimethylbutyl)propanedioic acid
CID 174849631
methyl-(2-methyl-3-oxobutyl)phosphinic acid
CID 59235819
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
butyl(methyl)phosphinic acid
CID 10909622
[(4S)-2-methyl-4-(methylsulfonylmethyl)-3-propan-2-ylhex-5-en-3-yl]phosphonic acid
CID 86751718
dihydrogen phosphate;tetramethylphosphanium
CID 71359633

Frequently Asked Questions

What is the IUPAC name of methyl(2,2,3-trimethylbutyl)phosphinic acid?
The IUPAC name of methyl(2,2,3-trimethylbutyl)phosphinic acid (CID 54072016) is methyl(2,2,3-trimethylbutyl)phosphinic acid.
What is the SMILES notation for methyl(2,2,3-trimethylbutyl)phosphinic acid?
The canonical SMILES for methyl(2,2,3-trimethylbutyl)phosphinic acid is CC(C)C(C)(C)CP(C)(=O)O.
What is the InChIKey of methyl(2,2,3-trimethylbutyl)phosphinic acid?
The InChIKey is OITQXPCIYOGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-7(2)8(3,4)6-11(5,9)10/h7H,6H2,1-5H3,(H,9,10).
What are the key properties of methyl(2,2,3-trimethylbutyl)phosphinic acid?
methyl(2,2,3-trimethylbutyl)phosphinic acid has a molecular weight of 178.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2,2,3-trimethylbutyl)phosphinic acid is sourced from PubChem (CID 54072016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).