methoxy(2-methylpropyl)phosphinic acid

C5H13O3P — CID 54548928

IUPACmethoxy(2-methylpropyl)phosphinic acid
SMILESCOP(=O)(O)CC(C)C
InChIInChI=1S/C5H13O3P/c1-5(2)4-9(6,7)8-3/h5H,4H2,1-3H3,(H,6,7)
InChIKeyZINPYSWBXNRZIB-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.47
Rot. Bonds3

About methoxy(2-methylpropyl)phosphinic acid

methoxy(2-methylpropyl)phosphinic acid (PubChem CID 54548928) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is methoxy(2-methylpropyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy(2-methylpropyl)phosphinic acid
PubChem CID54548928
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Namemethoxy(2-methylpropyl)phosphinic acid
SMILESCOP(=O)(O)CC(C)C
InChIInChI=1S/C5H13O3P/c1-5(2)4-9(6,7)8-3/h5H,4H2,1-3H3,(H,6,7)
InChIKeyZINPYSWBXNRZIB-UHFFFAOYSA-N
XLogP1.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methoxy(2-methylpropyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methylpropyl)phosphinic acid
CID 10233207
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
methoxy(methoxymethyl)phosphinic acid
CID 54547216
[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid
CID 89208279
methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 15715183
hydroxy-methyl-methylidene-(2-methylpropyl)-λ5-phosphane
CID 58584280
sodium methyl(2-methylpropyl)phosphinate
CID 141477458
methyl 4-amino-4-oxobutanoate;2-methylpropylphosphonic acid
CID 19089071
carbanylium;methyl dihydrogen phosphate
CID 165007935
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
decyl(methoxy)phosphinic acid
CID 54568982

Frequently Asked Questions

What is the IUPAC name of methoxy(2-methylpropyl)phosphinic acid?
The IUPAC name of methoxy(2-methylpropyl)phosphinic acid (CID 54548928) is methoxy(2-methylpropyl)phosphinic acid.
What is the SMILES notation for methoxy(2-methylpropyl)phosphinic acid?
The canonical SMILES for methoxy(2-methylpropyl)phosphinic acid is COP(=O)(O)CC(C)C.
What is the InChIKey of methoxy(2-methylpropyl)phosphinic acid?
The InChIKey is ZINPYSWBXNRZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-5(2)4-9(6,7)8-3/h5H,4H2,1-3H3,(H,6,7).
What are the key properties of methoxy(2-methylpropyl)phosphinic acid?
methoxy(2-methylpropyl)phosphinic acid has a molecular weight of 152.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(2-methylpropyl)phosphinic acid is sourced from PubChem (CID 54548928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).