2-(2-methylprop-2-enoyloxy)propylphosphonic acid

C7H13O5P — CID 19789204

IUPAC2-(2-methylprop-2-enoyloxy)propylphosphonic acid
SMILESC=C(C)C(=O)OC(C)CP(=O)(O)O
InChIInChI=1S/C7H13O5P/c1-5(2)7(8)12-6(3)4-13(9,10)11/h6H,1,4H2,2-3H3,(H2,9,10,11)
InChIKeyGNGRLZSLVDDHBK-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.67
Rot. Bonds4

About 2-(2-methylprop-2-enoyloxy)propylphosphonic acid

2-(2-methylprop-2-enoyloxy)propylphosphonic acid (PubChem CID 19789204) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)propylphosphonic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)propylphosphonic acid
PubChem CID19789204
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name2-(2-methylprop-2-enoyloxy)propylphosphonic acid
SMILESC=C(C)C(=O)OC(C)CP(=O)(O)O
InChIInChI=1S/C7H13O5P/c1-5(2)7(8)12-6(3)4-13(9,10)11/h6H,1,4H2,2-3H3,(H2,9,10,11)
InChIKeyGNGRLZSLVDDHBK-UHFFFAOYSA-N
XLogP0.67
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)but-3-enylphosphonic acid
CID 174524119
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphoryl]oxyethyl-trimethylazanium
CID 175314160
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
CID 173115892
2-[3-(2-methylprop-2-enoyloxy)butoxy]propan-2-ylphosphonic acid
CID 155032122
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)propylphosphonic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)propylphosphonic acid (CID 19789204) is 2-(2-methylprop-2-enoyloxy)propylphosphonic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)propylphosphonic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)propylphosphonic acid is C=C(C)C(=O)OC(C)CP(=O)(O)O.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)propylphosphonic acid?
The InChIKey is GNGRLZSLVDDHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c1-5(2)7(8)12-6(3)4-13(9,10)11/h6H,1,4H2,2-3H3,(H2,9,10,11).
What are the key properties of 2-(2-methylprop-2-enoyloxy)propylphosphonic acid?
2-(2-methylprop-2-enoyloxy)propylphosphonic acid has a molecular weight of 208.15 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)propylphosphonic acid is sourced from PubChem (CID 19789204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).