hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene

C8H12O5P2+2 — CID 158557091

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene
SMILESCc1cccc(C)c1.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C8H10.O5P2/c1-7-4-3-5-8(2)6-7;1-6(2)5-7(3)4/h3-6H,1-2H3;/p+2
InChIKeyATAITBWURWJWCO-UHFFFAOYSA-P
MW250.13 g/mol
LogP2.61
Rot. Bonds2

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene (PubChem CID 158557091) has the molecular formula C8H12O5P2+2 and a molecular weight of 250.13 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene
PubChem CID158557091
Molecular FormulaC8H12O5P2+2
Molecular Weight250.13 g/mol
Exact Mass250.01
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene
SMILESCc1cccc(C)c1.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C8H10.O5P2/c1-7-4-3-5-8(2)6-7;1-6(2)5-7(3)4/h3-6H,1-2H3;/p+2
InChIKeyATAITBWURWJWCO-UHFFFAOYSA-P
XLogP2.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanol;1,3-xylene
CID 156743127
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
sulfuric acid;1,3-xylene
CID 70361760
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095
formic acid;1,3-xylene;hydrochloride
CID 143757587
acetic acid;azane;1,3-xylene
CID 21426934
ethane;methane;1,3-xylene
CID 145463381
azane;1,3-xylene;hydrochloride
CID 175000695

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene (CID 158557091) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene is Cc1cccc(C)c1.O=[P+](O)O[P+](=O)O.
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene?
The InChIKey is ATAITBWURWJWCO-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H10.O5P2/c1-7-4-3-5-8(2)6-7;1-6(2)5-7(3)4/h3-6H,1-2H3;/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene has a molecular weight of 250.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3-xylene is sourced from PubChem (CID 158557091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).