dimethoxyphosphorylmethyl 2-methylprop-2-enoate

C7H13O5P — CID 86063300

IUPACdimethoxyphosphorylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCP(=O)(OC)OC
InChIInChI=1S/C7H13O5P/c1-6(2)7(8)12-5-13(9,10-3)11-4/h1,5H2,2-4H3
InChIKeyQSKKMCIVGFSWJK-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.55
Rot. Bonds5

About dimethoxyphosphorylmethyl 2-methylprop-2-enoate

dimethoxyphosphorylmethyl 2-methylprop-2-enoate (PubChem CID 86063300) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is dimethoxyphosphorylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedimethoxyphosphorylmethyl 2-methylprop-2-enoate
PubChem CID86063300
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Namedimethoxyphosphorylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCP(=O)(OC)OC
InChIInChI=1S/C7H13O5P/c1-6(2)7(8)12-5-13(9,10-3)11-4/h1,5H2,2-4H3
InChIKeyQSKKMCIVGFSWJK-UHFFFAOYSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphorylmethyl 2-methylprop-2-enoate?
The IUPAC name of dimethoxyphosphorylmethyl 2-methylprop-2-enoate (CID 86063300) is dimethoxyphosphorylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for dimethoxyphosphorylmethyl 2-methylprop-2-enoate?
The canonical SMILES for dimethoxyphosphorylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCP(=O)(OC)OC.
What is the InChIKey of dimethoxyphosphorylmethyl 2-methylprop-2-enoate?
The InChIKey is QSKKMCIVGFSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c1-6(2)7(8)12-5-13(9,10-3)11-4/h1,5H2,2-4H3.
What are the key properties of dimethoxyphosphorylmethyl 2-methylprop-2-enoate?
dimethoxyphosphorylmethyl 2-methylprop-2-enoate has a molecular weight of 208.15 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphorylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 86063300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).