bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid

C10H19O6P — CID 160701242

IUPACbis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid
SMILESCC(C)(C)OC(=O)P(=O)(O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19O6P/c1-9(2,3)15-7(11)17(13,14)8(12)16-10(4,5)6/h1-6H3,(H,13,14)
InChIKeyLBQFHWYAPYAJKE-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.13
Rot. Bonds2

About bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid

bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid (PubChem CID 160701242) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid
PubChem CID160701242
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Namebis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid
SMILESCC(C)(C)OC(=O)P(=O)(O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19O6P/c1-9(2,3)15-7(11)17(13,14)8(12)16-10(4,5)6/h1-6H3,(H,13,14)
InChIKeyLBQFHWYAPYAJKE-UHFFFAOYSA-N
XLogP3.13
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl phosphonooxymethyl carbonate
CID 89472425
tert-butyl acetate
CID 159704758
butane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid
CID 87066053
tert-butyl acetate;iron
CID 174907269
ditert-butyl oxalate;hydrazine
CID 88669499
sodium tert-butyl acetate
CID 22391906
[4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-phosphonobutyl]phosphonic acid
CID 87355325
tert-butyl 2-dimethoxyphosphorylacetate
CID 4564495
bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid
CID 134535350
ditert-butyl but-2-ynedioate
CID 545317
CID 131873404
CID 131873404
tert-butyl hydroxy carbonate
CID 19428429

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid?
The IUPAC name of bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid (CID 160701242) is bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid is CC(C)(C)OC(=O)P(=O)(O)C(=O)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid?
The InChIKey is LBQFHWYAPYAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O6P/c1-9(2,3)15-7(11)17(13,14)8(12)16-10(4,5)6/h1-6H3,(H,13,14).
What are the key properties of bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid?
bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid has a molecular weight of 266.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxycarbonyl]phosphinic acid is sourced from PubChem (CID 160701242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).