[hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid

C4H10O6P2 — CID 21059600

IUPAC[hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid
SMILESC=CCOP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C4H10O6P2/c1-2-3-10-12(8,9)4-11(5,6)7/h2H,1,3-4H2,(H,8,9)(H2,5,6,7)
InChIKeyBXMJXXFIHIUMJE-UHFFFAOYSA-N
MW216.07 g/mol
LogP0.51
Rot. Bonds5

About [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid

[hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid (PubChem CID 21059600) has the molecular formula C4H10O6P2 and a molecular weight of 216.07 g/mol. Its IUPAC name is [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid
PubChem CID21059600
Molecular FormulaC4H10O6P2
Molecular Weight216.07 g/mol
Exact Mass216.00
IUPAC Name[hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid
SMILESC=CCOP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C4H10O6P2/c1-2-3-10-12(8,9)4-11(5,6)7/h2H,1,3-4H2,(H,8,9)(H2,5,6,7)
InChIKeyBXMJXXFIHIUMJE-UHFFFAOYSA-N
XLogP0.51
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid?
The IUPAC name of [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid (CID 21059600) is [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid.
What is the SMILES notation for [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid?
The canonical SMILES for [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid is C=CCOP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid?
The InChIKey is BXMJXXFIHIUMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6P2/c1-2-3-10-12(8,9)4-11(5,6)7/h2H,1,3-4H2,(H,8,9)(H2,5,6,7).
What are the key properties of [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid?
[hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid has a molecular weight of 216.07 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(prop-2-enoxy)phosphoryl]methylphosphonic acid is sourced from PubChem (CID 21059600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).