tritert-butyloxidanium perchlorate

C12H27ClO5 — CID 134894267

IUPACtritert-butyloxidanium perchlorate
SMILESCC(C)(C)[O+](C(C)(C)C)C(C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H27O.ClHO4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h1-9H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyZNACOZZOXYPJLS-UHFFFAOYSA-M
MW286.80 g/mol
LogP-0.82
Rot. Bonds

About tritert-butyloxidanium perchlorate

tritert-butyloxidanium perchlorate (PubChem CID 134894267) has the molecular formula C12H27ClO5 and a molecular weight of 286.80 g/mol. Its IUPAC name is tritert-butyloxidanium perchlorate.

Molecular Properties

Compound Nametritert-butyloxidanium perchlorate
PubChem CID134894267
Molecular FormulaC12H27ClO5
Molecular Weight286.80 g/mol
Exact Mass286.15
IUPAC Nametritert-butyloxidanium perchlorate
SMILESCC(C)(C)[O+](C(C)(C)C)C(C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H27O.ClHO4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h1-9H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyZNACOZZOXYPJLS-UHFFFAOYSA-M
XLogP-0.82
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tritert-butyloxidanium perchlorate?
The IUPAC name of tritert-butyloxidanium perchlorate (CID 134894267) is tritert-butyloxidanium perchlorate.
What is the SMILES notation for tritert-butyloxidanium perchlorate?
The canonical SMILES for tritert-butyloxidanium perchlorate is CC(C)(C)[O+](C(C)(C)C)C(C)(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tritert-butyloxidanium perchlorate?
The InChIKey is ZNACOZZOXYPJLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O.ClHO4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h1-9H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of tritert-butyloxidanium perchlorate?
tritert-butyloxidanium perchlorate has a molecular weight of 286.80 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyloxidanium perchlorate is sourced from PubChem (CID 134894267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).