diethoxyphosphorylmethyl 2-methylprop-2-enoate

C9H17O5P — CID 14323915

IUPACdiethoxyphosphorylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCP(=O)(OCC)OCC
InChIInChI=1S/C9H17O5P/c1-5-13-15(11,14-6-2)7-12-9(10)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyWGEHZQBNIFSXDP-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.33
Rot. Bonds7

About diethoxyphosphorylmethyl 2-methylprop-2-enoate

diethoxyphosphorylmethyl 2-methylprop-2-enoate (PubChem CID 14323915) has the molecular formula C9H17O5P and a molecular weight of 236.20 g/mol. Its IUPAC name is diethoxyphosphorylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namediethoxyphosphorylmethyl 2-methylprop-2-enoate
PubChem CID14323915
Molecular FormulaC9H17O5P
Molecular Weight236.20 g/mol
Exact Mass236.08
IUPAC Namediethoxyphosphorylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCP(=O)(OCC)OCC
InChIInChI=1S/C9H17O5P/c1-5-13-15(11,14-6-2)7-12-9(10)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyWGEHZQBNIFSXDP-UHFFFAOYSA-N
XLogP2.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.33
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 diethoxyphosphorylmethyl 2-methylprop-2-enoate?
The IUPAC name of diethoxyphosphorylmethyl 2-methylprop-2-enoate (CID 14323915) is diethoxyphosphorylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for diethoxyphosphorylmethyl 2-methylprop-2-enoate?
The canonical SMILES for diethoxyphosphorylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCP(=O)(OCC)OCC.
What is the InChIKey of diethoxyphosphorylmethyl 2-methylprop-2-enoate?
The InChIKey is WGEHZQBNIFSXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O5P/c1-5-13-15(11,14-6-2)7-12-9(10)8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of diethoxyphosphorylmethyl 2-methylprop-2-enoate?
diethoxyphosphorylmethyl 2-methylprop-2-enoate has a molecular weight of 236.20 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 14323915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).