3,4-bis(phosphanyl)oxolane-2,5-dione

C4H6O3P2 — CID 88635886

IUPAC3,4-bis(phosphanyl)oxolane-2,5-dione
SMILESO=C1OC(=O)C(P)C1P
InChIInChI=1S/C4H6O3P2/c5-3-1(8)2(9)4(6)7-3/h1-2H,8-9H2
InChIKeyUIMKDJFTKKQOII-UHFFFAOYSA-N
MW164.04 g/mol
LogP-0.44
Rot. Bonds

About 3,4-bis(phosphanyl)oxolane-2,5-dione

3,4-bis(phosphanyl)oxolane-2,5-dione (PubChem CID 88635886) has the molecular formula C4H6O3P2 and a molecular weight of 164.04 g/mol. Its IUPAC name is 3,4-bis(phosphanyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3,4-bis(phosphanyl)oxolane-2,5-dione
PubChem CID88635886
Molecular FormulaC4H6O3P2
Molecular Weight164.04 g/mol
Exact Mass163.98
IUPAC Name3,4-bis(phosphanyl)oxolane-2,5-dione
SMILESO=C1OC(=O)C(P)C1P
InChIInChI=1S/C4H6O3P2/c5-3-1(8)2(9)4(6)7-3/h1-2H,8-9H2
InChIKeyUIMKDJFTKKQOII-UHFFFAOYSA-N
XLogP-0.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.04
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R,5R)-3,6-dioxabicyclo[3.1.0]hexane-2,4-dione
CID 98050944
4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone
CID 12717041
(3aR,4aR,7aR,8aR)-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 98043102
(1R,2S,4S,8S,10R,11R)-6-oxahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
CID 124921392
(1R,5R,6R,7S)-6,7-dichloro-3-oxabicyclo[3.2.0]heptane-2,4-dione
CID 98100728
(1R,4R,8S,11S)-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadecane-5,7,12,14-tetrone
CID 139050845
(2R,6R,8S,12R)-1,7,13,14-tetrachloro-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 98523330
(6S)-4-oxatetracyclo[5.2.1.11,7.02,6]undecane-3,5-dione
CID 163649355
(3R,5S)-3,5-dihydroxy-1,4-oxathiane-2,6-dione
CID 94865791
(1S,5S)-3-oxabicyclo[3.2.1]octane-2,4-dione
CID 98047957
3,8-dioxabicyclo[3.2.1]octane-2,4-dione
CID 13425799
(3R,5R)-3,5-dihydroxy-1,4-oxathiane-2,6-dione
CID 94865792

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phosphanyl)oxolane-2,5-dione?
The IUPAC name of 3,4-bis(phosphanyl)oxolane-2,5-dione (CID 88635886) is 3,4-bis(phosphanyl)oxolane-2,5-dione.
What is the SMILES notation for 3,4-bis(phosphanyl)oxolane-2,5-dione?
The canonical SMILES for 3,4-bis(phosphanyl)oxolane-2,5-dione is O=C1OC(=O)C(P)C1P.
What is the InChIKey of 3,4-bis(phosphanyl)oxolane-2,5-dione?
The InChIKey is UIMKDJFTKKQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3P2/c5-3-1(8)2(9)4(6)7-3/h1-2H,8-9H2.
What are the key properties of 3,4-bis(phosphanyl)oxolane-2,5-dione?
3,4-bis(phosphanyl)oxolane-2,5-dione has a molecular weight of 164.04 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phosphanyl)oxolane-2,5-dione is sourced from PubChem (CID 88635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).