[ethenyl(hydroxy)phosphoryl]methylphosphonic acid

C3H8O5P2 — CID 21059595

IUPAC[ethenyl(hydroxy)phosphoryl]methylphosphonic acid
SMILESC=CP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C3H8O5P2/c1-2-9(4,5)3-10(6,7)8/h2H,1,3H2,(H,4,5)(H2,6,7,8)
InChIKeyBINPSONDRONSCB-UHFFFAOYSA-N
MW186.04 g/mol
LogP0.54
Rot. Bonds3

About [ethenyl(hydroxy)phosphoryl]methylphosphonic acid

[ethenyl(hydroxy)phosphoryl]methylphosphonic acid (PubChem CID 21059595) has the molecular formula C3H8O5P2 and a molecular weight of 186.04 g/mol. Its IUPAC name is [ethenyl(hydroxy)phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[ethenyl(hydroxy)phosphoryl]methylphosphonic acid
PubChem CID21059595
Molecular FormulaC3H8O5P2
Molecular Weight186.04 g/mol
Exact Mass185.98
IUPAC Name[ethenyl(hydroxy)phosphoryl]methylphosphonic acid
SMILESC=CP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C3H8O5P2/c1-2-9(4,5)3-10(6,7)8/h2H,1,3H2,(H,4,5)(H2,6,7,8)
InChIKeyBINPSONDRONSCB-UHFFFAOYSA-N
XLogP0.54
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162139470
CID 162139470
phosphonomethylphosphonic acid;phosphoric acid
CID 174390883
azane;phosphonomethylphosphonic acid
CID 18674565
phosphonatomethylphosphonic acid
CID 136758999
(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride
CID 88803334
ethenyl-dioxido-oxo-λ5-phosphane;ethenyl(hydroxy)phosphinate;methane
CID 158727156
ethenylphosphonic acid;propane-1,3-diol
CID 159146855
acetylene;prop-2-enylphosphonic acid
CID 175361195
1-phosphonoprop-2-enylphosphonic acid
CID 19843943
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
phosphoric acid;prop-1-ene
CID 175586036
ethenylphosphonic acid;bis(N-ethylethanamine)
CID 174668506

Frequently Asked Questions

What is the IUPAC name of [ethenyl(hydroxy)phosphoryl]methylphosphonic acid?
The IUPAC name of [ethenyl(hydroxy)phosphoryl]methylphosphonic acid (CID 21059595) is [ethenyl(hydroxy)phosphoryl]methylphosphonic acid.
What is the SMILES notation for [ethenyl(hydroxy)phosphoryl]methylphosphonic acid?
The canonical SMILES for [ethenyl(hydroxy)phosphoryl]methylphosphonic acid is C=CP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [ethenyl(hydroxy)phosphoryl]methylphosphonic acid?
The InChIKey is BINPSONDRONSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5P2/c1-2-9(4,5)3-10(6,7)8/h2H,1,3H2,(H,4,5)(H2,6,7,8).
What are the key properties of [ethenyl(hydroxy)phosphoryl]methylphosphonic acid?
[ethenyl(hydroxy)phosphoryl]methylphosphonic acid has a molecular weight of 186.04 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(hydroxy)phosphoryl]methylphosphonic acid is sourced from PubChem (CID 21059595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).