2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate

C8H15O5P — CID 164896517

IUPAC2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCP(=O)(OC)OCC
InChIInChI=1S/C8H15O5P/c1-4-8(9)12-6-7-14(10,11-3)13-5-2/h4H,1,5-7H2,2-3H3
InChIKeyVANUXOCEGIMUPS-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.59
Rot. Bonds7

About 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate

2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate (PubChem CID 164896517) has the molecular formula C8H15O5P and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate
PubChem CID164896517
Molecular FormulaC8H15O5P
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCP(=O)(OC)OCC
InChIInChI=1S/C8H15O5P/c1-4-8(9)12-6-7-14(10,11-3)13-5-2/h4H,1,5-7H2,2-3H3
InChIKeyVANUXOCEGIMUPS-UHFFFAOYSA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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

2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
methoxy(3-prop-2-enoyloxypropyl)phosphinic acid
CID 154634835
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550
3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
CID 118588496
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
CID 87504188
10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
CID 140975270
4-methoxybutyl prop-2-enoate
CID 22321356
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane
CID 158014067
2-dimethoxyphosphorylethanol;2-dimethoxyphosphorylethyl prop-2-enoate;phosphonatooxy(2-prop-2-enoyloxyethyl)phosphinate;prop-2-enoyl chloride;2-prop-2-enoyloxyethylphosphonic acid
CID 159974538
ethenamine;ethyl prop-2-enoate
CID 22022699

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate?
The IUPAC name of 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate (CID 164896517) is 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate?
The canonical SMILES for 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate is C=CC(=O)OCCP(=O)(OC)OCC.
What is the InChIKey of 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate?
The InChIKey is VANUXOCEGIMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5P/c1-4-8(9)12-6-7-14(10,11-3)13-5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate?
2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate has a molecular weight of 222.18 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate is sourced from PubChem (CID 164896517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).