oxomethyl perchlorate;thallium(1+)

CClO5Tl — CID 88744771

IUPACoxomethyl perchlorate;thallium(1+)
SMILESO=[C-]O[Cl+3]([O-])([O-])[O-].[Tl+]
InChIInChI=1S/CClO5.Tl/c3-1-7-2(4,5)6;/q-1;+1
InChIKeyPDKUXKRDEKWKGB-UHFFFAOYSA-N
MW331.84 g/mol
LogP-4.41
Rot. Bonds2

About oxomethyl perchlorate;thallium(1+)

oxomethyl perchlorate;thallium(1+) (PubChem CID 88744771) has the molecular formula CClO5Tl and a molecular weight of 331.84 g/mol. Its IUPAC name is oxomethyl perchlorate;thallium(1+).

Molecular Properties

Compound Nameoxomethyl perchlorate;thallium(1+)
PubChem CID88744771
Molecular FormulaCClO5Tl
Molecular Weight331.84 g/mol
Exact Mass331.92
IUPAC Nameoxomethyl perchlorate;thallium(1+)
SMILESO=[C-]O[Cl+3]([O-])([O-])[O-].[Tl+]
InChIInChI=1S/CClO5.Tl/c3-1-7-2(4,5)6;/q-1;+1
InChIKeyPDKUXKRDEKWKGB-UHFFFAOYSA-N
XLogP-4.41
TPSA95.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 5-4.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxomethyl perchlorate;thallium(1+)?
The IUPAC name of oxomethyl perchlorate;thallium(1+) (CID 88744771) is oxomethyl perchlorate;thallium(1+).
What is the SMILES notation for oxomethyl perchlorate;thallium(1+)?
The canonical SMILES for oxomethyl perchlorate;thallium(1+) is O=[C-]O[Cl+3]([O-])([O-])[O-].[Tl+].
What is the InChIKey of oxomethyl perchlorate;thallium(1+)?
The InChIKey is PDKUXKRDEKWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/CClO5.Tl/c3-1-7-2(4,5)6;/q-1;+1.
What are the key properties of oxomethyl perchlorate;thallium(1+)?
oxomethyl perchlorate;thallium(1+) has a molecular weight of 331.84 g/mol, XLogP of -4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxomethyl perchlorate;thallium(1+) is sourced from PubChem (CID 88744771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).