1-phosphonoprop-2-enylphosphonic acid

C3H8O6P2 — CID 19843943

IUPAC1-phosphonoprop-2-enylphosphonic acid
SMILESC=CC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H8O6P2/c1-2-3(10(4,5)6)11(7,8)9/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9)
InChIKeyZUXBXEAKUJMCHK-UHFFFAOYSA-N
MW202.04 g/mol
LogP-0.15
Rot. Bonds3

About 1-phosphonoprop-2-enylphosphonic acid

1-phosphonoprop-2-enylphosphonic acid (PubChem CID 19843943) has the molecular formula C3H8O6P2 and a molecular weight of 202.04 g/mol. Its IUPAC name is 1-phosphonoprop-2-enylphosphonic acid.

Molecular Properties

Compound Name1-phosphonoprop-2-enylphosphonic acid
PubChem CID19843943
Molecular FormulaC3H8O6P2
Molecular Weight202.04 g/mol
Exact Mass201.98
IUPAC Name1-phosphonoprop-2-enylphosphonic acid
SMILESC=CC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H8O6P2/c1-2-3(10(4,5)6)11(7,8)9/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9)
InChIKeyZUXBXEAKUJMCHK-UHFFFAOYSA-N
XLogP-0.15
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;prop-1-ene
CID 175586036
4-hydroxyhepta-1,6-dien-3-ylphosphonic acid
CID 19014017
1-cyclohexylprop-2-enylphosphonic acid
CID 22756742
dihydroxymethylphosphonic acid
CID 13034651
[ethenyl(hydroxy)phosphoryl]methylphosphonic acid
CID 21059595
acetylene;prop-2-enylphosphonic acid
CID 175361195
2-ethenylbut-3-enyl dihydrogen phosphate
CID 90185562
(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid
CID 87479265
1-(2-methylprop-2-enoylamino)prop-2-enylphosphonic acid
CID 87684851
2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
CID 87495989
1,6-diphosphonohex-2-enylphosphonic acid
CID 140959845
but-3-en-2-yloxy(ethenyl)phosphinic acid
CID 88761549

Frequently Asked Questions

What is the IUPAC name of 1-phosphonoprop-2-enylphosphonic acid?
The IUPAC name of 1-phosphonoprop-2-enylphosphonic acid (CID 19843943) is 1-phosphonoprop-2-enylphosphonic acid.
What is the SMILES notation for 1-phosphonoprop-2-enylphosphonic acid?
The canonical SMILES for 1-phosphonoprop-2-enylphosphonic acid is C=CC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of 1-phosphonoprop-2-enylphosphonic acid?
The InChIKey is ZUXBXEAKUJMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O6P2/c1-2-3(10(4,5)6)11(7,8)9/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9).
What are the key properties of 1-phosphonoprop-2-enylphosphonic acid?
1-phosphonoprop-2-enylphosphonic acid has a molecular weight of 202.04 g/mol, XLogP of -0.15, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphonoprop-2-enylphosphonic acid is sourced from PubChem (CID 19843943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).