(3-oxocyclopentyl)phosphonic acid

C5H9O4P — CID 22644556

IUPAC(3-oxocyclopentyl)phosphonic acid
SMILESO=C1CCC(P(=O)(O)O)C1
InChIInChI=1S/C5H9O4P/c6-4-1-2-5(3-4)10(7,8)9/h5H,1-3H2,(H2,7,8,9)
InChIKeyUYNBDGKXILRPLH-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.29
Rot. Bonds1

About (3-oxocyclopentyl)phosphonic acid

(3-oxocyclopentyl)phosphonic acid (PubChem CID 22644556) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is (3-oxocyclopentyl)phosphonic acid.

Molecular Properties

Compound Name(3-oxocyclopentyl)phosphonic acid
PubChem CID22644556
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Name(3-oxocyclopentyl)phosphonic acid
SMILESO=C1CCC(P(=O)(O)O)C1
InChIInChI=1S/C5H9O4P/c6-4-1-2-5(3-4)10(7,8)9/h5H,1-3H2,(H2,7,8,9)
InChIKeyUYNBDGKXILRPLH-UHFFFAOYSA-N
XLogP0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclopentyl)phosphonic acid?
The IUPAC name of (3-oxocyclopentyl)phosphonic acid (CID 22644556) is (3-oxocyclopentyl)phosphonic acid.
What is the SMILES notation for (3-oxocyclopentyl)phosphonic acid?
The canonical SMILES for (3-oxocyclopentyl)phosphonic acid is O=C1CCC(P(=O)(O)O)C1.
What is the InChIKey of (3-oxocyclopentyl)phosphonic acid?
The InChIKey is UYNBDGKXILRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c6-4-1-2-5(3-4)10(7,8)9/h5H,1-3H2,(H2,7,8,9).
What are the key properties of (3-oxocyclopentyl)phosphonic acid?
(3-oxocyclopentyl)phosphonic acid has a molecular weight of 164.10 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopentyl)phosphonic acid is sourced from PubChem (CID 22644556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).