methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid

C8H15O5P — CID 88872166

IUPACmethyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
SMILESC=C(C)C(=O)OCC(C)OP(C)(=O)O
InChIInChI=1S/C8H15O5P/c1-6(2)8(9)12-5-7(3)13-14(4,10)11/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyOJWHOFHMSYTXBX-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.33
Rot. Bonds5

About methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid

methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid (PubChem CID 88872166) has the molecular formula C8H15O5P and a molecular weight of 222.18 g/mol. Its IUPAC name is methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
PubChem CID88872166
Molecular FormulaC8H15O5P
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Namemethyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
SMILESC=C(C)C(=O)OCC(C)OP(C)(=O)O
InChIInChI=1S/C8H15O5P/c1-6(2)8(9)12-5-7(3)13-14(4,10)11/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyOJWHOFHMSYTXBX-UHFFFAOYSA-N
XLogP1.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-2-phosphonooxypropyl) 2-methylprop-2-enoate;methane;2-phosphonooxypropyl 2-methylprop-2-enoate
CID 160861397
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite
CID 175560298
2-phosphonooxypentyl 2-methylprop-2-enoate
CID 170162383
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid
CID 151668958
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307

Frequently Asked Questions

What is the IUPAC name of methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid?
The IUPAC name of methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid (CID 88872166) is methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid.
What is the SMILES notation for methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid?
The canonical SMILES for methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid is C=C(C)C(=O)OCC(C)OP(C)(=O)O.
What is the InChIKey of methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid?
The InChIKey is OJWHOFHMSYTXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5P/c1-6(2)8(9)12-5-7(3)13-14(4,10)11/h7H,1,5H2,2-4H3,(H,10,11).
What are the key properties of methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid?
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid has a molecular weight of 222.18 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid is sourced from PubChem (CID 88872166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).