[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate

C7H13O5P — CID 11052829

IUPAC[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate
SMILESCOP(=O)(/C=C/COC(C)=O)OC
InChIInChI=1S/C7H13O5P/c1-7(8)12-5-4-6-13(9,10-2)11-3/h4,6H,5H2,1-3H3/b6-4+
InChIKeyJKYRTTCLSZCQKN-GQCTYLIASA-N
MW208.15 g/mol
LogP1.55
Rot. Bonds5

About [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate

[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate (PubChem CID 11052829) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate
PubChem CID11052829
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate
SMILESCOP(=O)(/C=C/COC(C)=O)OC
InChIInChI=1S/C7H13O5P/c1-7(8)12-5-4-6-13(9,10-2)11-3/h4,6H,5H2,1-3H3/b6-4+
InChIKeyJKYRTTCLSZCQKN-GQCTYLIASA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate (CID 11052829) is [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate is COP(=O)(/C=C/COC(C)=O)OC.
What is the InChIKey of [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate?
The InChIKey is JKYRTTCLSZCQKN-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13O5P/c1-7(8)12-5-4-6-13(9,10-2)11-3/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate?
[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate has a molecular weight of 208.15 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-dimethoxyphosphorylprop-2-enyl] acetate is sourced from PubChem (CID 11052829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).