triethyloxidanium bromide

C6H15BrO — CID 87323276

IUPACtriethyloxidanium bromide
SMILESCC[O+](CC)CC.[Br-]
InChIInChI=1S/C6H15O.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeySBCRXEXNHTXMPG-UHFFFAOYSA-M
MW183.09 g/mol
LogP-1.40
Rot. Bonds3

About triethyloxidanium bromide

triethyloxidanium bromide (PubChem CID 87323276) has the molecular formula C6H15BrO and a molecular weight of 183.09 g/mol. Its IUPAC name is triethyloxidanium bromide.

Molecular Properties

Compound Nametriethyloxidanium bromide
PubChem CID87323276
Molecular FormulaC6H15BrO
Molecular Weight183.09 g/mol
Exact Mass182.03
IUPAC Nametriethyloxidanium bromide
SMILESCC[O+](CC)CC.[Br-]
InChIInChI=1S/C6H15O.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeySBCRXEXNHTXMPG-UHFFFAOYSA-M
XLogP-1.40
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.09
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 triethyloxidanium bromide?
The IUPAC name of triethyloxidanium bromide (CID 87323276) is triethyloxidanium bromide.
What is the SMILES notation for triethyloxidanium bromide?
The canonical SMILES for triethyloxidanium bromide is CC[O+](CC)CC.[Br-].
What is the InChIKey of triethyloxidanium bromide?
The InChIKey is SBCRXEXNHTXMPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethyloxidanium bromide?
triethyloxidanium bromide has a molecular weight of 183.09 g/mol, XLogP of -1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyloxidanium bromide is sourced from PubChem (CID 87323276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).