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

C8H15O6P — CID 175376147

IUPAC2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOP(=O)(OC)OCC
InChIInChI=1S/C8H15O6P/c1-4-8(9)12-6-7-14-15(10,11-3)13-5-2/h4H,1,5-7H2,2-3H3
InChIKeyNPDBFRWLZBLYQO-UHFFFAOYSA-N
MW238.18 g/mol
LogP1.52
Rot. Bonds8

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

2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate (PubChem CID 175376147) has the molecular formula C8H15O6P and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
PubChem CID175376147
Molecular FormulaC8H15O6P
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOP(=O)(OC)OCC
InChIInChI=1S/C8H15O6P/c1-4-8(9)12-6-7-14-15(10,11-3)13-5-2/h4H,1,5-7H2,2-3H3
InChIKeyNPDBFRWLZBLYQO-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate
CID 164896517
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
CID 172847247
bis(2-prop-2-enoyloxyethyl) phosphate
CID 22226175
magnesium 2-prop-2-enoyloxyethyl phosphate
CID 174879443
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550
diethyl 2-methoxyethyl phosphate
CID 547489
3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
CID 118588496
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
CID 87504188
ethyl dihydrogen phosphate;trimethyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium
CID 175228586
ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen
CID 144547902

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate (CID 175376147) is 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate is C=CC(=O)OCCOP(=O)(OC)OCC.
What is the InChIKey of 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate?
The InChIKey is NPDBFRWLZBLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O6P/c1-4-8(9)12-6-7-14-15(10,11-3)13-5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate?
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate has a molecular weight of 238.18 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate is sourced from PubChem (CID 175376147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).