2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid

C8H15O5P — CID 123217375

IUPAC2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
SMILESC=C(C)C(=O)OCP(=O)(O)OC(C)C
InChIInChI=1S/C8H15O5P/c1-6(2)8(9)12-5-14(10,11)13-7(3)4/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyDBFMNODLDZJBTL-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.67
Rot. Bonds5

About 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid

2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid (PubChem CID 123217375) has the molecular formula C8H15O5P and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
PubChem CID123217375
Molecular FormulaC8H15O5P
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
SMILESC=C(C)C(=O)OCP(=O)(O)OC(C)C
InChIInChI=1S/C8H15O5P/c1-6(2)8(9)12-5-14(10,11)13-7(3)4/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyDBFMNODLDZJBTL-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

methoxy(2-methylprop-2-enoyloxymethyl)phosphinic acid
CID 155926813
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
CID 88872166
2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 175590056
4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
sodium;hydride;phosphono 2-methylprop-2-enoate
CID 174967425
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991
[1-[6-(2-methylprop-2-enoyloxy)hexoxy]-1-oxopropan-2-yl]phosphonic acid
CID 176795551

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid?
The IUPAC name of 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid (CID 123217375) is 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid.
What is the SMILES notation for 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid?
The canonical SMILES for 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid is C=C(C)C(=O)OCP(=O)(O)OC(C)C.
What is the InChIKey of 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid?
The InChIKey is DBFMNODLDZJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5P/c1-6(2)8(9)12-5-14(10,11)13-7(3)4/h7H,1,5H2,2-4H3,(H,10,11).
What are the key properties of 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid?
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid has a molecular weight of 222.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid is sourced from PubChem (CID 123217375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).