(1-phosphonocyclopent-3-en-1-yl)phosphonic acid

C5H10O6P2 — CID 19083080

IUPAC(1-phosphonocyclopent-3-en-1-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CC=CC1
InChIInChI=1S/C5H10O6P2/c6-12(7,8)5(13(9,10)11)3-1-2-4-5/h1-2H,3-4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyLZBXPPXONKKKBB-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.39
Rot. Bonds2

About (1-phosphonocyclopent-3-en-1-yl)phosphonic acid

(1-phosphonocyclopent-3-en-1-yl)phosphonic acid (PubChem CID 19083080) has the molecular formula C5H10O6P2 and a molecular weight of 228.08 g/mol. Its IUPAC name is (1-phosphonocyclopent-3-en-1-yl)phosphonic acid.

Molecular Properties

Compound Name(1-phosphonocyclopent-3-en-1-yl)phosphonic acid
PubChem CID19083080
Molecular FormulaC5H10O6P2
Molecular Weight228.08 g/mol
Exact Mass228.00
IUPAC Name(1-phosphonocyclopent-3-en-1-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CC=CC1
InChIInChI=1S/C5H10O6P2/c6-12(7,8)5(13(9,10)11)3-1-2-4-5/h1-2H,3-4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyLZBXPPXONKKKBB-UHFFFAOYSA-N
XLogP0.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.39
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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Frequently Asked Questions

What is the IUPAC name of (1-phosphonocyclopent-3-en-1-yl)phosphonic acid?
The IUPAC name of (1-phosphonocyclopent-3-en-1-yl)phosphonic acid (CID 19083080) is (1-phosphonocyclopent-3-en-1-yl)phosphonic acid.
What is the SMILES notation for (1-phosphonocyclopent-3-en-1-yl)phosphonic acid?
The canonical SMILES for (1-phosphonocyclopent-3-en-1-yl)phosphonic acid is O=P(O)(O)C1(P(=O)(O)O)CC=CC1.
What is the InChIKey of (1-phosphonocyclopent-3-en-1-yl)phosphonic acid?
The InChIKey is LZBXPPXONKKKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6P2/c6-12(7,8)5(13(9,10)11)3-1-2-4-5/h1-2H,3-4H2,(H2,6,7,8)(H2,9,10,11).
What are the key properties of (1-phosphonocyclopent-3-en-1-yl)phosphonic acid?
(1-phosphonocyclopent-3-en-1-yl)phosphonic acid has a molecular weight of 228.08 g/mol, XLogP of 0.39, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphonocyclopent-3-en-1-yl)phosphonic acid is sourced from PubChem (CID 19083080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).