sodium methyl(2-methylpropyl)phosphinate

C5H12NaO2P — CID 141477458

IUPACsodium methyl(2-methylpropyl)phosphinate
SMILESCC(C)CP(C)(=O)[O-].[Na+]
InChIInChI=1S/C5H13O2P.Na/c1-5(2)4-8(3,6)7;/h5H,4H2,1-3H3,(H,6,7);/q;+1/p-1
InChIKeyPRQRPMQZOOCGBI-UHFFFAOYSA-M
MW158.11 g/mol
LogP-2.09
Rot. Bonds2

About sodium methyl(2-methylpropyl)phosphinate

sodium methyl(2-methylpropyl)phosphinate (PubChem CID 141477458) has the molecular formula C5H12NaO2P and a molecular weight of 158.11 g/mol. Its IUPAC name is sodium methyl(2-methylpropyl)phosphinate.

Molecular Properties

Compound Namesodium methyl(2-methylpropyl)phosphinate
PubChem CID141477458
Molecular FormulaC5H12NaO2P
Molecular Weight158.11 g/mol
Exact Mass158.05
IUPAC Namesodium methyl(2-methylpropyl)phosphinate
SMILESCC(C)CP(C)(=O)[O-].[Na+]
InChIInChI=1S/C5H13O2P.Na/c1-5(2)4-8(3,6)7;/h5H,4H2,1-3H3,(H,6,7);/q;+1/p-1
InChIKeyPRQRPMQZOOCGBI-UHFFFAOYSA-M
XLogP-2.09
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-2.09
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

2-methylpropyl phosphate
CID 22629809
bis(2-methylpropyl)phosphinic acid
CID 10233207
tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
CID 176884398
tris(1-[bis(2-methylpropyl)phosphoryl]-2-methylpropane);holmium(3+);trinitrate
CID 139045509
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
methoxy(2-methylpropyl)phosphinic acid
CID 54548928
calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate
CID 87094338
trisodium;propan-2-ol;phosphate
CID 174993570
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
hydroxy-methyl-methylidene-(2-methylpropyl)-λ5-phosphane
CID 58584280
magnesium 2,6-dimethylheptan-4-yl phosphate
CID 172766773
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine
CID 157116436

Frequently Asked Questions

What is the IUPAC name of sodium methyl(2-methylpropyl)phosphinate?
The IUPAC name of sodium methyl(2-methylpropyl)phosphinate (CID 141477458) is sodium methyl(2-methylpropyl)phosphinate.
What is the SMILES notation for sodium methyl(2-methylpropyl)phosphinate?
The canonical SMILES for sodium methyl(2-methylpropyl)phosphinate is CC(C)CP(C)(=O)[O-].[Na+].
What is the InChIKey of sodium methyl(2-methylpropyl)phosphinate?
The InChIKey is PRQRPMQZOOCGBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13O2P.Na/c1-5(2)4-8(3,6)7;/h5H,4H2,1-3H3,(H,6,7);/q;+1/p-1.
What are the key properties of sodium methyl(2-methylpropyl)phosphinate?
sodium methyl(2-methylpropyl)phosphinate has a molecular weight of 158.11 g/mol, XLogP of -2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methyl(2-methylpropyl)phosphinate is sourced from PubChem (CID 141477458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).