2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate

C7H13O5P — CID 88743708

IUPAC2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOP(O)OCC
InChIInChI=1S/C7H13O5P/c1-3-7(8)10-5-6-12-13(9)11-4-2/h3,9H,1,4-6H2,2H3
InChIKeyOZPTZSBBWNIGIS-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.99
Rot. Bonds7

About 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate

2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate (PubChem CID 88743708) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate
PubChem CID88743708
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOP(O)OCC
InChIInChI=1S/C7H13O5P/c1-3-7(8)10-5-6-12-13(9)11-4-2/h3,9H,1,4-6H2,2H3
InChIKeyOZPTZSBBWNIGIS-UHFFFAOYSA-N
XLogP0.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
ethyl prop-2-enoate;sulfane
CID 157093783
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate
CID 87905906
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
carbamic acid;propyl prop-2-enoate
CID 87571569
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate (CID 88743708) is 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate is C=CC(=O)OCCOP(O)OCC.
What is the InChIKey of 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate?
The InChIKey is OZPTZSBBWNIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c1-3-7(8)10-5-6-12-13(9)11-4-2/h3,9H,1,4-6H2,2H3.
What are the key properties of 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate?
2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate has a molecular weight of 208.15 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 88743708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).