2-dimethoxyphosphorylethyl 2-methylprop-2-enoate

C8H15O5P — CID 15545104

IUPAC2-dimethoxyphosphorylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCP(=O)(OC)OC
InChIInChI=1S/C8H15O5P/c1-7(2)8(9)13-5-6-14(10,11-3)12-4/h1,5-6H2,2-4H3
InChIKeyQOOHUWULLQCUGG-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.59
Rot. Bonds6

About 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate

2-dimethoxyphosphorylethyl 2-methylprop-2-enoate (PubChem CID 15545104) has the molecular formula C8H15O5P and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-dimethoxyphosphorylethyl 2-methylprop-2-enoate
PubChem CID15545104
Molecular FormulaC8H15O5P
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name2-dimethoxyphosphorylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCP(=O)(OC)OC
InChIInChI=1S/C8H15O5P/c1-7(2)8(9)13-5-6-14(10,11-3)12-4/h1,5-6H2,2-4H3
InChIKeyQOOHUWULLQCUGG-UHFFFAOYSA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.59
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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Related Compounds

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4-(Diethoxyphosphinyl)-2-methyl-2-butenoic acid ethyl ester
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Methyl 2-((Diethoxyphosphoryl)Methyl)Acrylate
CID 12520499
(Diethoxyphosphoryl)methyl 2-methylprop-2-enoate
CID 14323915
(Dimethoxyphosphoryl)methyl 2-methylacrylate
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Ethyl 2-(diethoxyphosphoryl)prop-2-enoate
CID 11085761
Ethyl 4-(diethoxyphosphinyl)-2-methyl-2-butenoate
CID 54356988
2-((Diethoxyphosphinyl)oxy)ethyl methacrylate
CID 69944
(2-{[2-(Ethoxycarbonyl)prop-2-en-1-yl]oxy}ethyl)phosphonic acid
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CID 6000084

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate (CID 15545104) is 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCP(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate?
The InChIKey is QOOHUWULLQCUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5P/c1-7(2)8(9)13-5-6-14(10,11-3)12-4/h1,5-6H2,2-4H3.
What are the key properties of 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate?
2-dimethoxyphosphorylethyl 2-methylprop-2-enoate has a molecular weight of 222.18 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15545104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).