ethyl 2-diethoxyphosphorylprop-2-enoate

C9H17O5P — CID 11085761

IUPACethyl 2-diethoxyphosphorylprop-2-enoate
SMILESC=C(C(=O)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H17O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h4-7H2,1-3H3
InChIKeyHGUXWCBODIJKDZ-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.33
Rot. Bonds7

About ethyl 2-diethoxyphosphorylprop-2-enoate

ethyl 2-diethoxyphosphorylprop-2-enoate (PubChem CID 11085761) has the molecular formula C9H17O5P and a molecular weight of 236.20 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphorylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphorylprop-2-enoate
PubChem CID11085761
Molecular FormulaC9H17O5P
Molecular Weight236.20 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-diethoxyphosphorylprop-2-enoate
SMILESC=C(C(=O)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H17O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h4-7H2,1-3H3
InChIKeyHGUXWCBODIJKDZ-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 ethyl 2-diethoxyphosphorylprop-2-enoate?
The IUPAC name of ethyl 2-diethoxyphosphorylprop-2-enoate (CID 11085761) is ethyl 2-diethoxyphosphorylprop-2-enoate.
What is the SMILES notation for ethyl 2-diethoxyphosphorylprop-2-enoate?
The canonical SMILES for ethyl 2-diethoxyphosphorylprop-2-enoate is C=C(C(=O)OCC)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphorylprop-2-enoate?
The InChIKey is HGUXWCBODIJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h4-7H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphorylprop-2-enoate?
ethyl 2-diethoxyphosphorylprop-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 ethyl 2-diethoxyphosphorylprop-2-enoate is sourced from PubChem (CID 11085761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).