1-dimethoxyphosphoryloxyethyl prop-2-enoate

C7H13O6P — CID 21386963

IUPAC1-dimethoxyphosphoryloxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OP(=O)(OC)OC
InChIInChI=1S/C7H13O6P/c1-5-7(8)12-6(2)13-14(9,10-3)11-4/h5-6H,1H2,2-4H3
InChIKeyYZYQEXPSSUDSGG-UHFFFAOYSA-N
MW224.15 g/mol
LogP1.48
Rot. Bonds6

About 1-dimethoxyphosphoryloxyethyl prop-2-enoate

1-dimethoxyphosphoryloxyethyl prop-2-enoate (PubChem CID 21386963) has the molecular formula C7H13O6P and a molecular weight of 224.15 g/mol. Its IUPAC name is 1-dimethoxyphosphoryloxyethyl prop-2-enoate.

Molecular Properties

Compound Name1-dimethoxyphosphoryloxyethyl prop-2-enoate
PubChem CID21386963
Molecular FormulaC7H13O6P
Molecular Weight224.15 g/mol
Exact Mass224.04
IUPAC Name1-dimethoxyphosphoryloxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OP(=O)(OC)OC
InChIInChI=1S/C7H13O6P/c1-5-7(8)12-6(2)13-14(9,10-3)11-4/h5-6H,1H2,2-4H3
InChIKeyYZYQEXPSSUDSGG-UHFFFAOYSA-N
XLogP1.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
CID 175013848
2-hydroxyethyl 3-[bis(1-prop-2-enoyloxyethoxy)phosphoryloxy]-2-methylidene-3-prop-2-enoyloxybutanoate
CID 141135002
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
1-(propylcarbamoyloxy)ethyl prop-2-enoate
CID 155100969
ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium
CID 174899097
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate
CID 174425123
[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid
CID 174919478

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryloxyethyl prop-2-enoate?
The IUPAC name of 1-dimethoxyphosphoryloxyethyl prop-2-enoate (CID 21386963) is 1-dimethoxyphosphoryloxyethyl prop-2-enoate.
What is the SMILES notation for 1-dimethoxyphosphoryloxyethyl prop-2-enoate?
The canonical SMILES for 1-dimethoxyphosphoryloxyethyl prop-2-enoate is C=CC(=O)OC(C)OP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryloxyethyl prop-2-enoate?
The InChIKey is YZYQEXPSSUDSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O6P/c1-5-7(8)12-6(2)13-14(9,10-3)11-4/h5-6H,1H2,2-4H3.
What are the key properties of 1-dimethoxyphosphoryloxyethyl prop-2-enoate?
1-dimethoxyphosphoryloxyethyl prop-2-enoate has a molecular weight of 224.15 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryloxyethyl prop-2-enoate is sourced from PubChem (CID 21386963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).