tert-butyl(methoxy)phosphinic acid

C5H13O3P — CID 14945264

IUPACtert-butyl(methoxy)phosphinic acid
SMILESCOP(=O)(O)C(C)(C)C
InChIInChI=1S/C5H13O3P/c1-5(2,3)9(6,7)8-4/h1-4H3,(H,6,7)
InChIKeyWKLXAYFTIGWZED-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl(methoxy)phosphinic acid

tert-butyl(methoxy)phosphinic acid (PubChem CID 14945264) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is tert-butyl(methoxy)phosphinic acid.

Molecular Properties

Compound Nametert-butyl(methoxy)phosphinic acid
PubChem CID14945264
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Nametert-butyl(methoxy)phosphinic acid
SMILESCOP(=O)(O)C(C)(C)C
InChIInChI=1S/C5H13O3P/c1-5(2,3)9(6,7)8-4/h1-4H3,(H,6,7)
InChIKeyWKLXAYFTIGWZED-UHFFFAOYSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methoxy(1,1,2,2,2-pentafluoroethyl)phosphinic acid
CID 75530351
[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
CID 10438081
carbanylium;methyl dihydrogen phosphate
CID 165007935
[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
methyl 2-methylbut-3-yn-2-yl hydrogen phosphate
CID 123497642
butoxy(tert-butyl)phosphinic acid
CID 15271226
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
fluoro(methoxy)phosphinic acid
CID 23235630
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148

Frequently Asked Questions

What is the IUPAC name of tert-butyl(methoxy)phosphinic acid?
The IUPAC name of tert-butyl(methoxy)phosphinic acid (CID 14945264) is tert-butyl(methoxy)phosphinic acid.
What is the SMILES notation for tert-butyl(methoxy)phosphinic acid?
The canonical SMILES for tert-butyl(methoxy)phosphinic acid is COP(=O)(O)C(C)(C)C.
What is the InChIKey of tert-butyl(methoxy)phosphinic acid?
The InChIKey is WKLXAYFTIGWZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-5(2,3)9(6,7)8-4/h1-4H3,(H,6,7).
What are the key properties of tert-butyl(methoxy)phosphinic acid?
tert-butyl(methoxy)phosphinic acid has a molecular weight of 152.13 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(methoxy)phosphinic acid is sourced from PubChem (CID 14945264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).