2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid

C11H17O7P — CID 151668958

IUPAC2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid
SMILESC=C(C)C(=O)OC(COP(C)(=O)O)OC(=O)C(=C)C
InChIInChI=1S/C11H17O7P/c1-7(2)10(12)17-9(6-16-19(5,14)15)18-11(13)8(3)4/h9H,1,3,6H2,2,4-5H3,(H,14,15)
InChIKeyQYCXKPHCBBHEAR-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.38
Rot. Bonds7

About 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid

2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid (PubChem CID 151668958) has the molecular formula C11H17O7P and a molecular weight of 292.22 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid
PubChem CID151668958
Molecular FormulaC11H17O7P
Molecular Weight292.22 g/mol
Exact Mass292.07
IUPAC Name2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid
SMILESC=C(C)C(=O)OC(COP(C)(=O)O)OC(=O)C(=C)C
InChIInChI=1S/C11H17O7P/c1-7(2)10(12)17-9(6-16-19(5,14)15)18-11(13)8(3)4/h9H,1,3,6H2,2,4-5H3,(H,14,15)
InChIKeyQYCXKPHCBBHEAR-UHFFFAOYSA-N
XLogP1.38
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
CID 88872166
methyl-(2-methyl-3-oxobutoxy)phosphinic acid
CID 89028754
1-phosphonooxypentan-2-yl 2-methylprop-2-enoate
CID 141037886
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
1-[hydroxy(pentoxy)phosphoryl]oxypropyl 2-methylprop-2-enoate
CID 174915368
(1-chloro-3-phosphonooxypropyl) 2-methylprop-2-enoate
CID 87184704
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
propan-2-yl 2-methylprop-2-enoate
CID 146421311
2-(2-methylprop-2-enoyloxy)but-3-enylphosphonic acid
CID 174524119
ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 87169157

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid (CID 151668958) is 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid is C=C(C)C(=O)OC(COP(C)(=O)O)OC(=O)C(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid?
The InChIKey is QYCXKPHCBBHEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O7P/c1-7(2)10(12)17-9(6-16-19(5,14)15)18-11(13)8(3)4/h9H,1,3,6H2,2,4-5H3,(H,14,15).
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid?
2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid has a molecular weight of 292.22 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid is sourced from PubChem (CID 151668958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).