1,2-dihydroperoxyethyl-hydroxy-oxophosphanium

C2H6O6P+ — CID 90440402

IUPAC1,2-dihydroperoxyethyl-hydroxy-oxophosphanium
SMILESO=[P+](O)C(COO)OO
InChIInChI=1S/C2H5O6P/c3-7-1-2(8-4)9(5)6/h2H,1H2,(H2-,3,4,5,6)/p+1
InChIKeyTYISKOIWTUBNGQ-UHFFFAOYSA-O
MW157.04 g/mol
LogP0.03
Rot. Bonds4

About 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium

1,2-dihydroperoxyethyl-hydroxy-oxophosphanium (PubChem CID 90440402) has the molecular formula C2H6O6P+ and a molecular weight of 157.04 g/mol. Its IUPAC name is 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1,2-dihydroperoxyethyl-hydroxy-oxophosphanium
PubChem CID90440402
Molecular FormulaC2H6O6P+
Molecular Weight157.04 g/mol
Exact Mass156.99
IUPAC Name1,2-dihydroperoxyethyl-hydroxy-oxophosphanium
SMILESO=[P+](O)C(COO)OO
InChIInChI=1S/C2H5O6P/c3-7-1-2(8-4)9(5)6/h2H,1H2,(H2-,3,4,5,6)/p+1
InChIKeyTYISKOIWTUBNGQ-UHFFFAOYSA-O
XLogP0.03
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.04
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-dichloro-2-hydroperoxyethane
CID 71366737
1,2-dihydroperoxybutane
CID 174924928
carbonic acid;1,1-dichloro-2-hydroperoxyethane
CID 88516032
1-amino-2-hydroperoxyethanol
CID 173374285
1,2-dihydroperoxyethyl-(2-hydroperoxy-1-hydroxyethyl)phosphinic acid
CID 90441654
azane;hydroxy-(hydroxymethoxy)-oxophosphanium
CID 175032722
dimethoxymethyl-hydroxy-oxophosphanium
CID 12601980
bis(1-hydroperoxypropan-2-yl) carbonate
CID 174639053
dioxovanadium;3-(hydroperoxymethyl)pentane
CID 88612947
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
3-(hydroperoxymethyl)pentane-2,4-diol
CID 151679348
(2S,3S)-1-hydroperoxy-2,3-dimethylpentane
CID 59874869

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium?
The IUPAC name of 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium (CID 90440402) is 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium?
The canonical SMILES for 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium is O=[P+](O)C(COO)OO.
What is the InChIKey of 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium?
The InChIKey is TYISKOIWTUBNGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O6P/c3-7-1-2(8-4)9(5)6/h2H,1H2,(H2-,3,4,5,6)/p+1.
What are the key properties of 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium?
1,2-dihydroperoxyethyl-hydroxy-oxophosphanium has a molecular weight of 157.04 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroperoxyethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 90440402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).