6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol

C2H4O6P2+2 — CID 53470542

IUPAC6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol
SMILESCC1(O)O[P+](=O)O[P+](=O)O1
InChIInChI=1S/C2H4O6P2/c1-2(3)6-9(4)8-10(5)7-2/h3H,1H3/q+2
InChIKeyIBLPKMGENVANOF-UHFFFAOYSA-N
MW186.00 g/mol
LogP1.03
Rot. Bonds

About 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol

6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol (PubChem CID 53470542) has the molecular formula C2H4O6P2+2 and a molecular weight of 186.00 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol
PubChem CID53470542
Molecular FormulaC2H4O6P2+2
Molecular Weight186.00 g/mol
Exact Mass185.95
IUPAC Name6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol
SMILESCC1(O)O[P+](=O)O[P+](=O)O1
InChIInChI=1S/C2H4O6P2/c1-2(3)6-9(4)8-10(5)7-2/h3H,1H3/q+2
InChIKeyIBLPKMGENVANOF-UHFFFAOYSA-N
XLogP1.03
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.00
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol?
The IUPAC name of 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol (CID 53470542) is 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol.
What is the SMILES notation for 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol?
The canonical SMILES for 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol is CC1(O)O[P+](=O)O[P+](=O)O1.
What is the InChIKey of 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol?
The InChIKey is IBLPKMGENVANOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O6P2/c1-2(3)6-9(4)8-10(5)7-2/h3H,1H3/q+2.
What are the key properties of 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol?
6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol has a molecular weight of 186.00 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol is sourced from PubChem (CID 53470542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).