5,5-dimethoxypent-2-enylphosphonic acid

C7H15O5P — CID 174637518

IUPAC5,5-dimethoxypent-2-enylphosphonic acid
SMILESCOC(CC=CCP(=O)(O)O)OC
InChIInChI=1S/C7H15O5P/c1-11-7(12-2)5-3-4-6-13(8,9)10/h3-4,7H,5-6H2,1-2H3,(H2,8,9,10)
InChIKeyRLJFXGZIWQGIAN-UHFFFAOYSA-N
MW210.17 g/mol
LogP0.73
Rot. Bonds6

About 5,5-dimethoxypent-2-enylphosphonic acid

5,5-dimethoxypent-2-enylphosphonic acid (PubChem CID 174637518) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is 5,5-dimethoxypent-2-enylphosphonic acid.

Molecular Properties

Compound Name5,5-dimethoxypent-2-enylphosphonic acid
PubChem CID174637518
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name5,5-dimethoxypent-2-enylphosphonic acid
SMILESCOC(CC=CCP(=O)(O)O)OC
InChIInChI=1S/C7H15O5P/c1-11-7(12-2)5-3-4-6-13(8,9)10/h3-4,7H,5-6H2,1-2H3,(H2,8,9,10)
InChIKeyRLJFXGZIWQGIAN-UHFFFAOYSA-N
XLogP0.73
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxypent-2-enylphosphonic acid?
The IUPAC name of 5,5-dimethoxypent-2-enylphosphonic acid (CID 174637518) is 5,5-dimethoxypent-2-enylphosphonic acid.
What is the SMILES notation for 5,5-dimethoxypent-2-enylphosphonic acid?
The canonical SMILES for 5,5-dimethoxypent-2-enylphosphonic acid is COC(CC=CCP(=O)(O)O)OC.
What is the InChIKey of 5,5-dimethoxypent-2-enylphosphonic acid?
The InChIKey is RLJFXGZIWQGIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-11-7(12-2)5-3-4-6-13(8,9)10/h3-4,7H,5-6H2,1-2H3,(H2,8,9,10).
What are the key properties of 5,5-dimethoxypent-2-enylphosphonic acid?
5,5-dimethoxypent-2-enylphosphonic acid has a molecular weight of 210.17 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxypent-2-enylphosphonic acid is sourced from PubChem (CID 174637518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).